data_2en3_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 2en3 _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 ' 12' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo . . . . . 0 C--O 1.231 0.16 0 CA-C-O 120.841 0.267 . . . . 0.0 112.352 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 25' ' ' SER . 47.6 m-85 -95.83 151.64 19.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -150.2 155.27 39.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.422 ' N ' ' O ' ' A' ' 20' ' ' MET . 7.4 t -84.96 136.69 33.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -95.8 7.25 46.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.505 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 21.2 mm-40 -103.66 -50.91 3.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.2 p -121.64 -21.95 6.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.81 2.7 36.88 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.521 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.562 ' HE1' ' CZ ' ' A' ' 22' ' ' PHE . 20.0 mmm -55.83 131.64 47.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.809 0.337 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -98.63 154.14 18.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.562 ' CZ ' ' HE1' ' A' ' 20' ' ' MET . 62.0 m-85 -147.14 126.89 13.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 35.7 m -53.99 -55.68 24.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.823 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.2 m95 -74.78 177.14 6.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 75.3 p -93.79 -59.24 2.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.443 ' O ' ' C ' ' A' ' 27' ' ' SER . 25.7 p -56.09 -48.13 76.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 26' ' ' CYS . 69.8 m -34.71 -58.69 0.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.822 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.561 HD11 ' CD1' ' A' ' 22' ' ' PHE . 15.8 tp -42.43 -51.1 5.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.934 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -49.69 -47.66 50.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.0 ttmt -53.43 -26.56 20.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.934 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -92.73 -38.21 11.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.2 mt -50.34 -39.93 47.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.455 ' HD3' ' N ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -50.17 -36.24 29.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.455 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 33.3 t -47.48 -21.18 0.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.505 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 69.0 m-70 -102.19 -28.51 12.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.908 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 N--CA 1.466 -0.127 0 CA-C-O 120.825 0.26 . . . . 0.0 112.297 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -92.45 148.91 21.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -149.37 157.39 43.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 20' ' ' MET . 3.1 t -91.35 126.06 36.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.1 8.15 21.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.463 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 29.2 mm-40 -103.54 -52.12 3.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.7 p -119.36 -22.55 7.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.09 4.49 38.55 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.488 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.446 ' HE1' ' CZ ' ' A' ' 22' ' ' PHE . 25.2 mmm -57.72 132.77 54.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.341 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -99.07 152.29 20.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.565 ' CD1' HD13 ' A' ' 28' ' ' LEU . 58.6 m-85 -145.19 133.93 22.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.0 p -67.17 -47.04 72.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.7 m95 -78.65 -179.67 6.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.9 m -96.66 -58.06 2.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.454 ' O ' ' C ' ' A' ' 27' ' ' SER . 81.2 m -62.2 -46.85 87.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 26' ' ' CYS . 71.2 m -34.43 -50.78 0.44 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.822 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.565 HD13 ' CD1' ' A' ' 22' ' ' PHE . 18.8 tp -53.14 -52.13 59.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -47.83 -44.9 29.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.9 ttmm -55.69 -29.09 58.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.402 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 12.6 t60 -89.84 -41.0 12.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.8 mt -49.37 -39.18 31.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.464 ' HD3' ' N ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -50.07 -37.61 34.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.92 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.464 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 36.5 t -47.43 -21.11 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.463 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 77.1 m-70 -101.97 -28.72 12.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 -179.908 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.819 0.258 . . . . 0.0 112.381 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -100.61 152.64 20.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -152.0 157.5 41.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.426 ' N ' ' O ' ' A' ' 20' ' ' MET . 4.5 t -87.58 126.35 34.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -86.6 7.11 27.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.537 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 20.9 mm-40 -101.98 -56.07 2.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.6 p -116.31 -22.2 8.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.23 0.43 33.34 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.453 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.515 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 28.7 mmm -53.56 129.36 32.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.773 0.32 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -97.66 151.73 19.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.558 ' CD1' HD13 ' A' ' 28' ' ' LEU . 42.3 m-85 -144.67 145.04 31.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.845 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.8 t -72.32 -54.83 8.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -73.68 -178.28 3.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 88.5 p -99.54 -49.46 4.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.829 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.423 ' O ' ' C ' ' A' ' 27' ' ' SER . 25.2 p -67.54 -46.5 72.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 26' ' ' CYS . 58.1 m -36.73 -52.09 0.89 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.558 HD13 ' CD1' ' A' ' 22' ' ' PHE . 17.2 tp -50.22 -49.79 51.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -47.81 -47.22 31.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.5 ttpp -54.03 -29.12 42.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.515 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 17.0 t60 -89.87 -37.51 14.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.7 mt -54.95 -39.48 68.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.412 ' C ' ' HD2' ' A' ' 33' ' ' ARG . 2.5 ppt_? -51.82 -31.07 25.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.1 t -55.45 -13.95 1.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.537 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 87.2 m-70 -105.7 -29.96 9.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.835 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 -179.914 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.171 0 CA-C-O 120.777 0.24 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.439 ' CZ ' ' HB3' ' A' ' 25' ' ' SER . 84.0 m-85 -107.59 150.2 27.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -148.34 153.59 38.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.0 t -82.21 140.54 33.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.889 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -98.72 1.32 45.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.54 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 3.2 mm-40 -97.5 -56.03 2.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.7 p -115.34 -24.2 8.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.44 -8.56 28.47 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.484 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.536 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 29.2 mmm -45.52 129.93 8.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.789 0.328 . . . . 0.0 110.876 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.499 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 0.7 OUTLIER -101.14 156.82 17.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.549 ' CD1' HD12 ' A' ' 28' ' ' LEU . 24.1 m-85 -147.28 147.31 30.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.564 ' C ' ' CG ' ' A' ' 24' ' ' TRP . 13.9 m -89.54 33.06 0.84 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.844 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.564 ' CG ' ' C ' ' A' ' 23' ' ' SER . 1.6 m95 -163.46 164.47 24.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.439 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 34.4 p -85.28 -39.27 17.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.848 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 26.0 p -76.61 -48.13 20.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 52.6 m -41.37 -57.15 2.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.549 HD12 ' CD1' ' A' ' 22' ' ' PHE . 15.5 tp -49.81 -50.71 44.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -48.31 -52.57 20.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -50.52 -23.34 2.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.536 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 9.6 t60 -95.63 -39.41 9.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.6 mt -51.91 -36.37 48.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -50.7 -42.52 57.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.47 ' N ' ' HD2' ' A' ' 33' ' ' ARG . 42.3 p -41.96 -24.8 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.82 -179.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.54 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 69.3 m-70 -97.35 -29.72 13.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.835 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 33' ' ' ARG . 4.1 pt-20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.162 0 CA-C-O 120.787 0.244 . . . . 0.0 112.349 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.557 ' CZ ' ' HB3' ' A' ' 25' ' ' SER . 50.7 m-85 -101.98 146.66 27.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -145.0 152.48 40.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.8 t -81.79 125.54 30.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -84.88 5.25 29.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.444 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 3.4 mm-40 -99.76 -57.73 2.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -116.12 -22.54 8.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.69 -4.41 29.25 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.528 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.547 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 16.5 mmm -49.69 129.02 19.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.794 0.331 . . . . 0.0 110.896 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.485 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 29.2 p30 -95.26 157.75 15.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.567 ' CD1' HD13 ' A' ' 28' ' ' LEU . 55.4 m-85 -151.35 120.48 6.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.5 t -49.98 -44.61 50.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -87.81 178.9 6.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.937 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 89.4 p -98.2 -39.81 8.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.901 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 27' ' ' SER . 82.7 m -71.04 -53.1 15.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.922 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 26' ' ' CYS . 1.5 t -35.48 -50.73 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.567 HD13 ' CD1' ' A' ' 22' ' ' PHE . 15.9 tp -51.82 -51.72 54.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -47.16 -49.22 22.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.8 ttpt -53.69 -27.4 27.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.547 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 11.7 t60 -90.41 -38.08 13.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.2 mt -53.2 -37.24 61.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.944 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.403 ' HD3' ' C ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -51.67 -32.5 29.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 63.4 m -54.88 -14.28 1.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.444 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 53.9 m-70 -108.3 -28.65 9.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.967 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.151 0 CA-C-O 120.813 0.255 . . . . 0.0 112.353 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.552 ' CZ ' ' HB2' ' A' ' 25' ' ' SER . 30.5 m-85 -107.39 149.24 28.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -150.79 154.34 37.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.855 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.404 ' N ' ' O ' ' A' ' 20' ' ' MET . 2.1 t -88.54 112.16 22.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -73.09 0.86 10.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.426 ' HB2' ' NE2' ' A' ' 35' ' ' HIS . 2.6 mm-40 -93.76 -54.0 3.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -119.47 -21.63 7.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.23 4.3 38.22 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.452 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 17.4 mmm -57.8 130.0 44.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.848 0.356 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -95.94 148.78 22.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.564 ' CD1' HD11 ' A' ' 28' ' ' LEU . 69.8 m-85 -142.55 135.48 28.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 88.8 p -64.37 -51.33 63.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -81.42 165.79 20.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.552 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 31.7 t -81.45 -57.52 3.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 27' ' ' SER . 26.3 p -59.6 -47.38 85.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 26' ' ' CYS . 24.6 m -34.76 -51.33 0.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.823 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.564 HD11 ' CD1' ' A' ' 22' ' ' PHE . 19.3 tp -52.25 -53.57 42.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -44.88 -46.99 11.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.2 ttmt -53.83 -32.03 51.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -87.29 -39.38 15.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.9 mt -48.18 -41.89 28.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.419 ' C ' ' HD3' ' A' ' 33' ' ' ARG . 1.0 OUTLIER -49.44 -34.57 16.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.7 t -48.32 -19.43 0.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.426 ' NE2' ' HB2' ' A' ' 17' ' ' GLU . 80.4 m-70 -102.72 -28.93 11.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -179.94 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.814 0.256 . . . . 0.0 112.354 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.414 ' CD1' ' O ' ' A' ' 24' ' ' TRP . 86.6 m-85 -104.87 157.39 17.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -153.39 158.34 41.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 20' ' ' MET . 4.7 t -88.79 128.63 35.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -87.92 7.24 31.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.566 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 28.9 mm-40 -102.91 -55.32 2.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.3 p -116.71 -21.8 8.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.12 0.78 35.74 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.462 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.559 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 26.9 mmm -53.09 130.87 35.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.751 0.31 . . . . 0.0 110.859 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -99.67 149.82 22.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.556 ' CE1' HD13 ' A' ' 28' ' ' LEU . 54.0 m-85 -142.43 140.98 32.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.475 ' C ' ' CG ' ' A' ' 24' ' ' TRP . 58.5 m -85.95 34.58 0.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.475 ' CG ' ' C ' ' A' ' 23' ' ' SER . 2.2 m95 -158.52 178.85 9.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.5 t -105.97 -36.5 6.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.863 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 22.1 p -81.14 -47.01 14.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.9 m -43.07 -60.27 1.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.556 HD13 ' CE1' ' A' ' 22' ' ' PHE . 17.1 tp -42.29 -46.18 4.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -50.16 -44.65 52.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.4 ttmm -59.1 -24.97 63.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.559 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 14.2 t60 -93.23 -34.86 13.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.5 mt -56.42 -35.32 67.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -52.73 -20.05 2.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.76 -1.64 14.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.566 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 54.8 m-70 -127.43 -23.91 3.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.466 -0.128 0 CA-C-O 120.814 0.256 . . . . 0.0 112.325 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.557 ' CZ ' ' HB3' ' A' ' 25' ' ' SER . 78.4 m-85 -109.04 151.37 26.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -145.41 153.45 41.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.9 t -84.64 125.14 32.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.19 5.64 33.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.907 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.407 ' HB2' ' NE2' ' A' ' 35' ' ' HIS . 4.2 mm-40 -99.74 -53.05 3.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.949 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.0 p -119.88 -23.52 6.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.5 -12.25 25.74 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.483 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.564 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 22.4 mmm -43.92 128.81 5.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.793 0.33 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.413 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 1.4 p-10 -97.49 159.0 15.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.561 ' CD1' HD12 ' A' ' 28' ' ' LEU . 88.3 m-85 -152.72 141.47 21.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.563 ' C ' ' CD1' ' A' ' 24' ' ' TRP . 1.3 t -86.44 29.68 0.76 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.814 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.563 ' CD1' ' C ' ' A' ' 23' ' ' SER . 1.7 m95 -163.52 145.35 9.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 71.7 p -68.31 -36.31 79.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.865 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 27' ' ' SER . 60.9 m -75.88 -55.01 6.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.836 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 26' ' ' CYS . 16.3 m -37.1 -55.01 0.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.561 HD12 ' CD1' ' A' ' 22' ' ' PHE . 13.4 tp -51.68 -47.73 63.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.879 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -48.97 -51.16 32.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.4 ttmm -52.42 -21.61 3.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.564 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 16.7 t60 -95.96 -43.27 7.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.87 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.3 mt -47.06 -33.98 5.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.468 ' HD3' ' N ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -51.71 -35.71 44.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.468 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 23.2 m -50.38 -17.98 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.407 ' NE2' ' HB2' ' A' ' 17' ' ' GLU . 55.6 m-70 -106.26 -27.56 10.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.959 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.466 -0.146 0 CA-C-O 120.864 0.277 . . . . 0.0 112.349 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.48 ' CD2' ' O ' ' A' ' 24' ' ' TRP . 76.5 m-85 -100.09 143.23 30.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -144.22 163.73 32.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.5 t -93.94 128.18 40.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.7 mmmt -87.52 7.62 28.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.549 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 31.2 mm-40 -103.18 -55.4 2.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.9 p -116.33 -22.68 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.926 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.98 8.42 36.52 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.521 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.443 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 13.6 mmm -61.65 130.43 45.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.795 0.331 . . . . 0.0 110.895 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.8 p30 -97.23 150.21 21.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.563 ' CD1' HD12 ' A' ' 28' ' ' LEU . 28.1 m-85 -142.05 141.06 32.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.453 ' C ' ' CG ' ' A' ' 24' ' ' TRP . 4.3 t -85.32 33.63 0.56 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.871 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.48 ' O ' ' CD2' ' A' ' 13' ' ' PHE . 8.2 m95 -158.23 -177.22 6.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.946 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.0 p -107.06 -54.81 2.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 29' ' ' PHE . 72.8 m -63.82 -58.16 7.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.837 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 26' ' ' CYS . 26.8 m -34.29 -59.72 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.563 HD12 ' CD1' ' A' ' 22' ' ' PHE . 16.3 tp -42.57 -44.05 4.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 26' ' ' CYS . 12.3 t80 -53.66 -39.47 65.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt -61.26 -29.63 69.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -88.14 -40.79 13.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.6 mt -52.64 -39.55 61.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.8 ppt_? -52.19 -31.65 32.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.7 t -52.64 -18.32 1.72 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.549 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 63.6 m-70 -104.53 -28.44 11.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 -179.919 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.148 0 CA-C-O 120.843 0.268 . . . . 0.0 112.346 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.56 ' CZ ' ' HB3' ' A' ' 25' ' ' SER . 31.3 m-85 -103.52 144.31 31.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -145.25 156.04 43.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.8 t -86.07 143.31 28.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -99.62 -1.76 37.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.568 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 38.8 mm-40 -94.71 -57.01 2.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.9 p -113.85 -24.25 9.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.4 8.54 35.3 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.494 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.496 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 10.3 mmm -62.57 130.36 44.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.783 0.325 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.506 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 27.2 p30 -97.87 152.93 18.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.506 ' CD1' ' C ' ' A' ' 21' ' ' ASN . 12.9 m-85 -145.75 125.33 13.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.852 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.4 m -50.71 -48.76 58.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.5 m95 -79.32 170.47 16.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.56 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 82.5 p -88.56 -60.49 1.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 27' ' ' SER . 73.9 m -58.25 -46.82 85.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 26' ' ' CYS . 87.6 p -36.11 -45.2 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.5 tp -60.96 -49.76 76.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.964 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' A' ' 26' ' ' CYS . 4.2 t80 -49.54 -41.15 40.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.1 ttmt -60.33 -29.58 68.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -86.42 -42.67 13.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.8 mt -47.03 -38.04 10.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.424 ' C ' ' HD3' ' A' ' 33' ' ' ARG . 0.6 OUTLIER -54.57 -35.44 63.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.2 m -48.6 -21.23 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.568 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 51.9 m-70 -100.79 -27.84 13.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.892 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.195 0 CA-C-O 120.803 0.251 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.568 ' CD2' ' O ' ' A' ' 24' ' ' TRP . 31.8 m-85 -103.51 151.01 23.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.847 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -152.58 160.8 43.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 20' ' ' MET . 1.8 t -93.19 112.56 24.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.8 mmmt -71.72 1.07 7.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.402 ' HB2' ' NE2' ' A' ' 35' ' ' HIS . 7.9 mm-40 -94.82 -52.93 4.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.3 p -119.23 -22.55 7.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 105.55 5.65 39.2 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.502 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.444 ' O ' ' N ' ' A' ' 15' ' ' CYS . 19.8 mmm -58.39 131.98 52.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.792 0.33 . . . . 0.0 110.855 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -95.6 147.22 23.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.567 ' CD1' HD11 ' A' ' 28' ' ' LEU . 62.8 m-85 -140.81 123.37 16.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.7 m -55.63 -44.63 77.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.568 ' O ' ' CD2' ' A' ' 13' ' ' PHE . 3.9 m95 -81.91 -175.23 5.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.944 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 52.5 p -107.47 -39.44 5.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.867 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 29' ' ' PHE . 88.5 m -77.54 -51.98 9.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 26' ' ' CYS . 4.0 t -35.13 -43.06 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.567 HD11 ' CD1' ' A' ' 22' ' ' PHE . 16.2 tp -55.02 -48.11 73.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.892 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.448 ' N ' ' O ' ' A' ' 26' ' ' CYS . 17.6 t80 -50.69 -44.83 57.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.4 ttmt -56.78 -27.06 59.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -90.9 -40.65 11.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.7 mt -49.88 -37.03 29.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.416 ' C ' ' HD3' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -50.95 -32.79 22.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 63.6 p -51.41 -20.23 1.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.402 ' NE2' ' HB2' ' A' ' 17' ' ' GLU . 69.6 m-70 -103.11 -28.81 11.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.853 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.905 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.842 0.267 . . . . 0.0 112.369 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.486 ' CZ ' ' HB3' ' A' ' 25' ' ' SER . 79.4 m-85 -111.92 139.31 47.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -135.66 153.96 51.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.426 ' N ' ' O ' ' A' ' 20' ' ' MET . 12.5 t -84.0 135.55 34.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.02 6.44 47.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.473 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 15.2 mm-40 -102.96 -54.26 2.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -118.78 -22.54 7.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.822 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.33 -6.48 30.28 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.547 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 29.7 mmm -48.81 129.03 16.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.756 0.312 . . . . 0.0 110.887 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.41 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 46.1 m-80 -105.77 150.12 25.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.464 ' CZ ' ' HE3' ' A' ' 20' ' ' MET . 9.8 m-85 -139.11 149.45 44.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.439 ' OG ' ' CD1' ' A' ' 24' ' ' TRP . 50.3 p -79.3 -26.47 42.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.439 ' CD1' ' OG ' ' A' ' 23' ' ' SER . 1.2 m95 -107.65 132.99 52.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.913 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.486 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 94.9 p -53.72 -53.65 49.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.872 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 27' ' ' SER . 61.7 m -57.51 -53.51 57.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 26' ' ' CYS . 2.7 m -35.0 -63.84 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.46 HD13 ' CE1' ' A' ' 22' ' ' PHE . 13.7 tp -40.41 -49.51 2.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -49.2 -49.97 40.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.2 ttmm -54.05 -22.36 10.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.547 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 12.3 t60 -94.73 -40.78 9.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.5 mt -51.74 -31.18 25.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.45 ' HD2' ' N ' ' A' ' 34' ' ' SER . 3.9 ppt_? -55.5 -39.63 70.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.45 ' N ' ' HD2' ' A' ' 33' ' ' ARG . 7.3 m -47.23 -20.17 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.473 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 63.9 m-70 -101.11 -29.69 12.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.958 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo . . . . . 0 N--CA 1.465 -0.166 0 CA-C-O 120.843 0.268 . . . . 0.0 112.382 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.551 ' CZ ' ' HB2' ' A' ' 25' ' ' SER . 82.0 m-85 -113.62 155.23 25.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -149.51 159.82 43.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.423 ' N ' ' O ' ' A' ' 20' ' ' MET . 7.0 t -87.07 138.2 31.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.4 mmtp -97.05 5.18 50.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.546 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 23.4 mm-40 -101.69 -54.2 2.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -117.12 -22.94 8.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.64 6.18 35.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.492 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.543 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 26.5 mmm -56.97 130.01 44.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.76 0.314 . . . . 0.0 110.853 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.1 p30 -98.09 146.55 25.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.547 ' CD1' HD11 ' A' ' 28' ' ' LEU . 48.2 m-85 -138.25 142.32 39.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.1 m -69.78 -46.6 65.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.6 m95 -82.7 -176.6 6.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.551 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 34.7 t -104.34 -36.73 7.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 27' ' ' SER . 79.1 m -78.02 -53.78 7.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 26' ' ' CYS . 3.4 t -34.74 -45.6 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.547 HD11 ' CD1' ' A' ' 22' ' ' PHE . 17.1 tp -51.86 -50.3 61.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.926 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.405 ' N ' ' O ' ' A' ' 26' ' ' CYS . 16.7 t80 -48.75 -45.43 39.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.0 ttmm -54.29 -28.52 42.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.543 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 10.4 t60 -91.53 -42.09 10.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.4 mt -50.71 -38.61 48.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.403 ' HD2' ' N ' ' A' ' 34' ' ' SER . 7.2 ppt_? -51.7 -32.09 28.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.403 ' N ' ' HD2' ' A' ' 33' ' ' ARG . 22.9 t -53.43 -18.61 2.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.808 -179.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.546 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 66.7 m-70 -104.58 -28.18 11.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.823 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 -179.922 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.161 0 CA-C-O 120.869 0.279 . . . . 0.0 112.345 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.445 ' CZ ' ' HB2' ' A' ' 25' ' ' SER . 69.9 m-85 -110.1 151.03 27.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.81 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -145.13 163.0 35.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.478 ' N ' ' O ' ' A' ' 20' ' ' MET . 4.0 t -92.88 114.62 27.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.0 mmtm -75.15 1.88 12.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.428 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 46.7 mm-40 -94.99 -51.24 4.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -123.93 -20.5 5.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.98 -0.76 33.64 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.478 ' O ' ' N ' ' A' ' 15' ' ' CYS . 16.8 mmm -51.95 131.13 31.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 0.0 110.855 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -96.99 149.32 22.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.558 ' CD1' HD11 ' A' ' 28' ' ' LEU . 79.4 m-85 -143.43 126.15 16.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 78.1 p -56.39 -49.63 73.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -83.55 169.23 15.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.445 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 35.4 t -85.15 -60.95 1.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 27' ' ' SER . 93.2 m -54.53 -48.76 71.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 26' ' ' CYS . 73.9 m -34.64 -55.0 0.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.826 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.558 HD11 ' CD1' ' A' ' 22' ' ' PHE . 16.6 tp -47.06 -50.57 19.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.895 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -48.88 -47.24 43.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -54.01 -27.27 30.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -91.87 -39.42 11.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.5 mt -49.8 -39.24 37.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.2 ppt_? -52.03 -32.78 35.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.5 t -54.46 -14.64 1.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.428 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 90.5 m-70 -103.32 -31.19 10.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.94 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.174 0 CA-C-O 120.791 0.246 . . . . 0.0 112.36 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.561 ' CZ ' ' HB2' ' A' ' 25' ' ' SER . 41.1 m-85 -97.29 142.09 29.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -142.11 153.36 44.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.928 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.41 ' N ' ' O ' ' A' ' 20' ' ' MET . 12.1 t -81.62 132.42 35.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.88 7.41 42.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.485 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 3.7 mm-40 -103.83 -49.39 3.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -124.26 -22.5 4.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.74 -7.62 29.77 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.454 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.565 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 33.1 mmm -47.76 129.6 14.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.805 0.336 . . . . 0.0 110.867 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.512 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 0.8 OUTLIER -99.27 160.82 14.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.568 ' CD1' HD13 ' A' ' 28' ' ' LEU . 59.0 m-85 -154.43 114.45 3.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.1 t -43.85 -38.19 3.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 3.0 m95 -91.43 169.0 11.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.561 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 43.0 t -89.44 -51.62 5.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 27' ' ' SER . 86.1 m -62.25 -50.93 69.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 26' ' ' CYS . 15.1 m -36.25 -55.86 0.78 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.735 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.568 HD13 ' CD1' ' A' ' 22' ' ' PHE . 14.5 tp -50.06 -49.15 52.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -47.48 -51.01 21.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.3 ttmm -53.79 -25.6 19.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.565 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 15.5 t60 -90.33 -39.07 12.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.4 mt -53.08 -39.58 63.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.467 ' HD2' ' N ' ' A' ' 34' ' ' SER . 8.3 ppt_? -50.53 -37.85 41.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.467 ' N ' ' HD2' ' A' ' 33' ' ' ARG . 52.9 p -44.18 -22.51 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.485 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 35.4 m-70 -101.82 -29.03 12.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 33' ' ' ARG . 4.8 pt-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.799 0.25 . . . . 0.0 112.376 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -108.33 144.71 35.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -140.25 157.82 44.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.1 t -86.62 133.89 33.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -94.6 6.96 47.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -103.09 -48.38 4.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.7 p -122.65 -22.7 5.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.09 7.23 38.46 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.504 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.451 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 14.3 mmm -58.47 129.63 42.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.798 0.333 . . . . 0.0 110.881 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -95.08 143.2 26.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.526 ' CD1' HD13 ' A' ' 28' ' ' LEU . 76.9 m-85 -136.74 145.58 44.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 45.3 t -75.6 -51.26 13.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -82.95 170.91 14.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.0 t -85.84 -55.86 3.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 26.2 p -61.39 -37.28 82.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.913 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.7 m -45.77 -50.44 13.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.526 HD13 ' CD1' ' A' ' 22' ' ' PHE . 17.3 tp -53.15 -52.5 58.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -46.36 -45.51 17.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.8 ttpp -54.42 -30.15 51.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.451 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 14.7 t60 -89.6 -42.5 11.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.832 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.9 mt -48.28 -38.85 19.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.946 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.418 ' C ' ' HD3' ' A' ' 33' ' ' ARG . 0.6 OUTLIER -51.84 -32.36 31.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 67.4 m -54.95 -14.29 1.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -106.05 -29.73 9.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 -179.878 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.532 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.169 0 CA-C-O 120.777 0.24 . . . . 0.0 112.339 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.562 ' CZ ' ' HB3' ' A' ' 25' ' ' SER . 42.8 m-85 -98.88 148.42 23.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -147.74 155.67 41.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.0 t -88.59 121.71 31.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.8 mmmm -82.22 7.23 14.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.432 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 2.6 mm-40 -102.03 -54.55 2.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.87 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.9 p -116.43 -23.17 8.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.67 3.42 37.23 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.46 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.555 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 32.3 mmm -54.73 129.56 37.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.85 0.357 . . . . 0.0 110.845 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.442 ' C ' ' OD1' ' A' ' 21' ' ' ASN . 12.7 p30 -94.15 152.63 18.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.52 ' CE1' ' HB3' ' A' ' 20' ' ' MET . 62.7 m-85 -148.97 137.62 21.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 92.2 p -71.91 -49.76 35.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.561 ' O ' ' CD2' ' A' ' 13' ' ' PHE . 2.1 m95 -77.46 -179.88 6.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.562 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 77.6 p -97.7 -58.9 1.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.886 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 27' ' ' SER . 73.3 m -58.05 -46.59 85.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 26' ' ' CYS . 68.1 m -37.45 -55.16 1.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.415 HD13 ' CD1' ' A' ' 22' ' ' PHE . 15.2 tp -49.03 -51.48 30.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.909 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -48.27 -46.04 35.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.901 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -55.11 -26.84 40.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.555 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 12.5 t60 -91.81 -41.15 10.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.3 mt -52.22 -36.26 51.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.963 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.407 ' HD2' ' C ' ' A' ' 33' ' ' ARG . 6.7 ppt_? -53.14 -28.24 24.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.1 m -59.37 -13.34 8.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.432 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 71.9 m-70 -108.39 -27.84 9.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.838 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.857 -179.874 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.169 0 CA-C-O 120.763 0.234 . . . . 0.0 112.309 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.554 ' CZ ' ' HB2' ' A' ' 25' ' ' SER . 74.9 m-85 -91.62 155.77 18.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -147.74 157.46 43.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.916 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.418 ' N ' ' O ' ' A' ' 20' ' ' MET . 6.0 t -87.74 122.84 31.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -82.57 4.44 24.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.467 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 3.3 mm-40 -98.37 -58.51 1.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -115.36 -21.86 9.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.49 -10.82 28.31 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.501 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.54 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 14.3 mmm -43.81 130.65 5.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.769 0.319 . . . . 0.0 110.856 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.465 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 0.5 OUTLIER -100.59 156.11 17.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.556 ' CE1' HD11 ' A' ' 28' ' ' LEU . 35.1 m-85 -147.09 145.18 29.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.574 ' C ' ' CG ' ' A' ' 24' ' ' TRP . 10.7 t -86.4 34.23 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.574 ' CG ' ' C ' ' A' ' 23' ' ' SER . 1.0 OUTLIER -163.92 174.97 10.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.929 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.554 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 31.3 t -96.23 -38.66 10.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 27' ' ' SER . 60.9 m -76.34 -55.05 5.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 26' ' ' CYS . 62.5 m -35.59 -56.59 0.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.556 HD11 ' CE1' ' A' ' 22' ' ' PHE . 17.1 tp -48.49 -49.68 34.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.929 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -48.75 -51.21 30.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.1 ttpp -52.59 -22.96 5.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.54 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 11.5 t60 -94.54 -40.73 9.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.452 HD21 ' CG ' ' A' ' 17' ' ' GLU . 7.1 mt -52.3 -33.7 43.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.459 ' HD3' ' N ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -52.33 -38.39 58.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.459 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 14.9 m -47.38 -19.96 0.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 -179.782 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.467 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 57.8 m-70 -101.81 -29.96 11.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.954 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.175 0 CA-C-O 120.768 0.237 . . . . 0.0 112.288 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.49 ' CZ ' ' OG ' ' A' ' 25' ' ' SER . 93.6 m-85 -92.53 153.46 19.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -149.22 158.9 44.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.453 ' N ' ' O ' ' A' ' 20' ' ' MET . 2.2 t -91.66 113.28 25.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.4 mmmm -74.03 1.16 11.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.415 ' HB2' ' NE2' ' A' ' 35' ' ' HIS . 3.6 mm-40 -94.09 -53.52 3.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -119.96 -21.86 6.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.53 1.78 35.01 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.564 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 28.8 mmm -55.0 129.71 38.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.743 0.306 . . . . 0.0 110.877 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -96.08 150.51 20.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.46 ' CZ ' ' HE3' ' A' ' 20' ' ' MET . 80.7 m-85 -144.43 134.19 23.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 t -65.38 -49.17 70.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.7 m95 -77.37 -179.06 5.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.49 ' OG ' ' CZ ' ' A' ' 13' ' ' PHE . 7.7 m -97.92 -58.76 1.91 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 27' ' ' SER . 26.3 p -62.31 -45.54 92.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 26' ' ' CYS . 55.8 m -35.26 -48.54 0.46 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.716 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.442 HD11 ' CD1' ' A' ' 22' ' ' PHE . 17.5 tp -52.6 -50.92 62.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -47.02 -46.9 22.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -53.97 -29.19 41.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.942 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.564 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 14.5 t60 -90.04 -40.07 12.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.1 mt -49.27 -40.74 35.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.461 ' HD2' ' N ' ' A' ' 34' ' ' SER . 4.6 ppt_? -48.85 -37.56 19.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.461 ' N ' ' HD2' ' A' ' 33' ' ' ARG . 59.8 p -44.88 -22.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.415 ' NE2' ' HB2' ' A' ' 17' ' ' GLU . 71.2 m-70 -99.63 -29.54 12.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 33' ' ' ARG . 6.8 pt-20 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.232 0.197 0 CA-C-O 120.837 0.265 . . . . 0.0 112.322 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.551 ' CZ ' ' HB3' ' A' ' 25' ' ' SER . 50.0 m-85 -117.05 154.04 31.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -143.15 153.72 43.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 19' ' ' GLY . 2.0 t -89.64 113.08 24.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.8 mmmt -71.84 1.49 6.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.929 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.412 ' HB2' ' NE2' ' A' ' 35' ' ' HIS . 33.5 mm-40 -95.49 -48.53 5.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.5 p -124.8 -22.26 4.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.834 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 105.11 6.8 39.08 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.534 ' HE3' ' CZ ' ' A' ' 22' ' ' PHE . 22.4 mmm -59.57 131.43 50.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.804 0.335 . . . . 0.0 110.883 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -97.99 144.58 27.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.534 ' CZ ' ' HE3' ' A' ' 20' ' ' MET . 71.5 m-85 -138.3 137.02 37.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.8 p -68.64 -41.74 78.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -88.91 159.77 17.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.969 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.551 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 20.2 p -76.64 -56.11 4.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.876 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 27' ' ' SER . 90.2 m -62.36 -46.56 88.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 26' ' ' CYS . 12.2 m -34.91 -50.05 0.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.803 -179.726 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.431 HD12 ' CD1' ' A' ' 22' ' ' PHE . 16.9 tp -54.04 -52.48 60.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -46.94 -46.79 21.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.9 ttmt -54.77 -28.54 49.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -90.14 -40.16 12.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.8 mt -48.01 -40.27 22.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.961 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.42 ' HD3' ' N ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -50.18 -34.9 24.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 179.899 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.42 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 91.5 p -49.4 -19.11 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.751 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.412 ' NE2' ' HB2' ' A' ' 17' ' ' GLU . 82.7 m-70 -102.06 -29.78 11.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.922 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.8 p -67.64 89.2 0.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.884 0.373 . . . . 0.0 110.837 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.9 m -119.84 90.14 3.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.864 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.33 106.68 0.2 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.513 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.0 m -112.37 101.44 9.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.824 0.345 . . . . 0.0 110.825 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.4 m -90.64 111.5 22.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.83 166.69 25.31 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.505 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 58.8 p -123.53 132.74 53.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.854 0.359 . . . . 0.0 111.126 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -155.58 93.39 0.13 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.492 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.3 pm0 -96.22 166.96 11.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.925 0.393 . . . . 0.0 110.91 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.6 mmmm -143.16 137.57 14.92 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.561 0.696 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 -50.84 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.706 2.27 . . . . 0.0 112.352 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 25' ' ' SER . 47.6 m-85 -95.83 151.64 19.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -150.2 155.27 39.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.422 ' N ' ' O ' ' A' ' 20' ' ' MET . 7.4 t -84.96 136.69 33.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -95.8 7.25 46.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.505 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 21.2 mm-40 -103.66 -50.91 3.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.2 p -121.64 -21.95 6.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.81 2.7 36.88 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.521 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.562 ' HE1' ' CZ ' ' A' ' 22' ' ' PHE . 20.0 mmm -55.83 131.64 47.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.809 0.337 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -98.63 154.14 18.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.562 ' CZ ' ' HE1' ' A' ' 20' ' ' MET . 62.0 m-85 -147.14 126.89 13.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 35.7 m -53.99 -55.68 24.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.823 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.2 m95 -74.78 177.14 6.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 75.3 p -93.79 -59.24 2.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.443 ' O ' ' C ' ' A' ' 27' ' ' SER . 25.7 p -56.09 -48.13 76.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 26' ' ' CYS . 69.8 m -34.71 -58.69 0.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.822 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.561 HD11 ' CD1' ' A' ' 22' ' ' PHE . 15.8 tp -42.43 -51.1 5.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.934 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -49.69 -47.66 50.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.0 ttmt -53.43 -26.56 20.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.934 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -92.73 -38.21 11.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.2 mt -50.34 -39.93 47.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.455 ' HD3' ' N ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -50.17 -36.24 29.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.455 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 33.3 t -47.48 -21.18 0.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.505 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 69.0 m-70 -102.19 -28.51 12.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -69.74 -33.37 72.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.5 tpp180 -90.03 -61.94 1.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 87.8 m -105.73 142.18 35.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -88.57 143.6 32.33 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.554 0.692 . . . . 0.0 110.88 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -4.93 15.02 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.723 2.282 . . . . 0.0 112.343 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 t 72.9 38.09 0.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.872 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 118.67 177.46 16.77 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.497 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 92.33 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.741 2.294 . . . . 0.0 112.359 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.0 m -63.23 -46.05 88.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.856 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 46' ' ' GLY . 6.4 t -106.02 127.4 53.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.888 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 45' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.496 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.0 m -95.38 151.5 19.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.892 0.377 . . . . 0.0 110.844 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.0 m -93.7 162.52 13.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.843 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.89 145.27 13.84 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.506 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 t 61.3 41.46 13.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.847 0.356 . . . . 0.0 110.882 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.9 p -80.55 143.96 32.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.826 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.81 -109.89 0.22 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.501 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 67.5 p -48.0 130.9 15.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.86 0.362 . . . . 0.0 111.15 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.34 -108.24 3.18 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.482 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -84.37 158.68 21.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.86 0.362 . . . . 0.0 110.916 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -141.97 141.36 21.66 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.604 0.716 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -50.37 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.722 2.281 . . . . 0.0 112.297 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -92.45 148.91 21.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -149.37 157.39 43.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 20' ' ' MET . 3.1 t -91.35 126.06 36.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.1 8.15 21.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.463 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 29.2 mm-40 -103.54 -52.12 3.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.7 p -119.36 -22.55 7.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.09 4.49 38.55 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.488 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.446 ' HE1' ' CZ ' ' A' ' 22' ' ' PHE . 25.2 mmm -57.72 132.77 54.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.341 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -99.07 152.29 20.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.565 ' CD1' HD13 ' A' ' 28' ' ' LEU . 58.6 m-85 -145.19 133.93 22.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.0 p -67.17 -47.04 72.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.7 m95 -78.65 -179.67 6.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.9 m -96.66 -58.06 2.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.454 ' O ' ' C ' ' A' ' 27' ' ' SER . 81.2 m -62.2 -46.85 87.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 26' ' ' CYS . 71.2 m -34.43 -50.78 0.44 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.822 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.565 HD13 ' CD1' ' A' ' 22' ' ' PHE . 18.8 tp -53.14 -52.13 59.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -47.83 -44.9 29.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.9 ttmm -55.69 -29.09 58.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.402 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 12.6 t60 -89.84 -41.0 12.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.8 mt -49.37 -39.18 31.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.464 ' HD3' ' N ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -50.07 -37.61 34.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.92 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.464 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 36.5 t -47.43 -21.11 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.463 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 77.1 m-70 -101.97 -28.72 12.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -68.78 -36.38 78.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.414 ' C ' ' HD2' ' A' ' 37' ' ' ARG . 1.3 ppt_? -49.01 -36.28 17.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.845 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 46.6 m -43.96 133.11 5.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.438 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 21.0 t70 -94.01 140.73 23.01 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.617 0.723 . . . . 0.0 110.878 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.438 ' HD2' ' CG ' ' A' ' 39' ' ' ASP . 53.8 Cg_endo -69.76 87.63 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.673 2.248 . . . . 0.0 112.372 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.3 p -169.27 135.68 1.68 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.76 156.08 52.72 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.495 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 119.75 6.65 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.674 2.249 . . . . 0.0 112.354 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.5 p -114.8 166.37 11.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.8 t -114.54 138.19 50.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 CA-C-O 119.114 -0.825 . . . . 0.0 112.504 -180.0 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.2 t -106.92 107.27 18.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.895 0.379 . . . . 0.0 110.839 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.6 p -60.91 102.96 0.22 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.65 131.48 26.83 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.438 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 6' ' ' SER . 11.9 t -48.04 -50.07 29.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.886 0.374 . . . . 0.0 110.875 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 5' ' ' SER . 7.0 t 36.7 42.6 0.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.48 -167.29 36.95 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.6 t -127.48 39.44 3.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.811 0.338 . . . . 0.0 111.131 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.6 85.82 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.48 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -60.27 169.69 1.55 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.936 0.398 . . . . 0.0 110.844 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.3 mmmt -145.41 134.92 11.44 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.592 0.71 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -50.14 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.605 2.203 . . . . 0.0 112.381 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -100.61 152.64 20.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -152.0 157.5 41.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.426 ' N ' ' O ' ' A' ' 20' ' ' MET . 4.5 t -87.58 126.35 34.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -86.6 7.11 27.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.537 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 20.9 mm-40 -101.98 -56.07 2.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.6 p -116.31 -22.2 8.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.23 0.43 33.34 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.453 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.515 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 28.7 mmm -53.56 129.36 32.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.773 0.32 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -97.66 151.73 19.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.558 ' CD1' HD13 ' A' ' 28' ' ' LEU . 42.3 m-85 -144.67 145.04 31.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.845 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.8 t -72.32 -54.83 8.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -73.68 -178.28 3.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 88.5 p -99.54 -49.46 4.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.829 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.423 ' O ' ' C ' ' A' ' 27' ' ' SER . 25.2 p -67.54 -46.5 72.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 26' ' ' CYS . 58.1 m -36.73 -52.09 0.89 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.558 HD13 ' CD1' ' A' ' 22' ' ' PHE . 17.2 tp -50.22 -49.79 51.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -47.81 -47.22 31.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.5 ttpp -54.03 -29.12 42.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.515 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 17.0 t60 -89.87 -37.51 14.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.7 mt -54.95 -39.48 68.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.412 ' C ' ' HD2' ' A' ' 33' ' ' ARG . 2.5 ppt_? -51.82 -31.07 25.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.1 t -55.45 -13.95 1.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.537 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 87.2 m-70 -105.7 -29.96 9.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.835 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -71.04 -26.4 63.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -93.84 -61.15 1.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.843 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 95.4 m -113.85 146.17 40.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.174 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -112.87 155.4 44.15 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.593 0.711 . . . . 0.0 110.842 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 132.92 24.25 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.717 2.278 . . . . 0.0 112.284 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.6 t -72.79 119.76 17.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -125.87 169.44 17.81 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.467 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 113.35 3.34 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.67 2.247 . . . . 0.0 112.362 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 65.8 p -65.17 -52.88 52.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 80.4 p -68.11 132.73 47.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.181 -0.789 . . . . 0.0 112.437 -179.952 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.7 p 40.15 42.15 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.841 0.353 . . . . 0.0 110.836 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.9 p -174.89 166.67 3.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.1 45.05 12.12 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.49 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.8 t -49.44 113.46 0.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.89 0.376 . . . . 0.0 110.885 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.4 p -100.17 144.98 28.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.83 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 8' ' ' THR . . . -137.04 104.1 0.46 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.488 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 7' ' ' GLY . 7.6 t -37.28 141.28 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.829 0.347 . . . . 0.0 111.104 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 60.51 -136.48 49.21 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.457 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 58.6 tt0 -137.03 163.96 29.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.896 0.379 . . . . 0.0 110.874 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -108.3 135.29 19.97 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.593 0.711 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -43.26 2.8 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.682 2.255 . . . . 0.0 112.343 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.439 ' CZ ' ' HB3' ' A' ' 25' ' ' SER . 84.0 m-85 -107.59 150.2 27.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -148.34 153.59 38.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.0 t -82.21 140.54 33.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.889 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -98.72 1.32 45.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.54 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 3.2 mm-40 -97.5 -56.03 2.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.7 p -115.34 -24.2 8.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.44 -8.56 28.47 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.484 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.536 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 29.2 mmm -45.52 129.93 8.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.789 0.328 . . . . 0.0 110.876 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.499 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 0.7 OUTLIER -101.14 156.82 17.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.549 ' CD1' HD12 ' A' ' 28' ' ' LEU . 24.1 m-85 -147.28 147.31 30.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.564 ' C ' ' CG ' ' A' ' 24' ' ' TRP . 13.9 m -89.54 33.06 0.84 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.844 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.564 ' CG ' ' C ' ' A' ' 23' ' ' SER . 1.6 m95 -163.46 164.47 24.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.439 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 34.4 p -85.28 -39.27 17.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.848 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 26.0 p -76.61 -48.13 20.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 52.6 m -41.37 -57.15 2.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.549 HD12 ' CD1' ' A' ' 22' ' ' PHE . 15.5 tp -49.81 -50.71 44.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -48.31 -52.57 20.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -50.52 -23.34 2.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.536 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 9.6 t60 -95.63 -39.41 9.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.6 mt -51.91 -36.37 48.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -50.7 -42.52 57.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.47 ' N ' ' HD2' ' A' ' 33' ' ' ARG . 42.3 p -41.96 -24.8 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.82 -179.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.54 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 69.3 m-70 -97.35 -29.72 13.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.835 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 33' ' ' ARG . 4.1 pt-20 -69.29 -29.87 67.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -106.05 136.05 46.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 57.1 m -158.15 122.53 4.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.168 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.59 143.92 68.7 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.626 0.727 . . . . 0.0 110.848 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 2.83 3.19 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.63 2.22 . . . . 0.0 112.371 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.7 t -140.4 162.68 34.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 172.37 -177.9 44.77 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 86.72 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.686 2.257 . . . . 0.0 112.382 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 55.7 m -59.04 103.35 0.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.2 t -108.09 -62.71 1.41 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.506 -179.979 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 t -113.76 107.43 15.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.884 0.373 . . . . 0.0 110.852 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 m -163.21 143.15 8.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.93 128.83 3.06 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.494 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -168.66 161.62 11.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.862 0.363 . . . . 0.0 110.842 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t -89.26 87.42 7.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.863 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 50.29 -171.86 0.14 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.48 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.1 t -77.28 -19.56 56.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.867 0.365 . . . . 0.0 111.14 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.1 150.65 6.49 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.505 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -91.43 146.56 23.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.924 0.392 . . . . 0.0 110.903 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -128.0 141.89 42.66 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.54 0.685 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -50.82 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.666 2.244 . . . . 0.0 112.349 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.557 ' CZ ' ' HB3' ' A' ' 25' ' ' SER . 50.7 m-85 -101.98 146.66 27.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -145.0 152.48 40.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.8 t -81.79 125.54 30.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -84.88 5.25 29.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.444 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 3.4 mm-40 -99.76 -57.73 2.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -116.12 -22.54 8.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.69 -4.41 29.25 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.528 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.547 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 16.5 mmm -49.69 129.02 19.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.794 0.331 . . . . 0.0 110.896 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.485 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 29.2 p30 -95.26 157.75 15.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.567 ' CD1' HD13 ' A' ' 28' ' ' LEU . 55.4 m-85 -151.35 120.48 6.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.5 t -49.98 -44.61 50.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -87.81 178.9 6.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.937 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 89.4 p -98.2 -39.81 8.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.901 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 27' ' ' SER . 82.7 m -71.04 -53.1 15.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.922 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 26' ' ' CYS . 1.5 t -35.48 -50.73 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.567 HD13 ' CD1' ' A' ' 22' ' ' PHE . 15.9 tp -51.82 -51.72 54.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -47.16 -49.22 22.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.8 ttpt -53.69 -27.4 27.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.547 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 11.7 t60 -90.41 -38.08 13.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.2 mt -53.2 -37.24 61.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.944 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.409 ' NH1' ' HD3' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -51.67 -32.5 29.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 63.4 m -54.88 -14.28 1.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.444 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 53.9 m-70 -108.3 -28.65 9.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -67.94 -22.69 65.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.409 ' HD3' ' NH1' ' A' ' 33' ' ' ARG . 7.1 ptt85 -102.84 147.04 27.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.425 HG23 ' N ' ' A' ' 39' ' ' ASP . 55.0 m -146.49 139.8 25.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.425 ' N ' HG23 ' A' ' 38' ' ' THR . 20.3 m-20 -99.22 141.6 23.14 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.614 0.721 . . . . 0.0 110.848 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 0.88 4.96 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.709 2.273 . . . . 0.0 112.361 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.0 m -67.14 106.21 1.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.47 158.5 34.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.483 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 133.41 25.46 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.663 2.242 . . . . 0.0 112.331 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.5 m -87.16 -46.87 9.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.3 t 54.53 41.4 31.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.828 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.127 -0.819 . . . . 0.0 112.467 -179.985 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -66.72 162.56 21.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.855 0.36 . . . . 0.0 110.878 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 t -107.71 91.79 3.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.82 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.2 -161.49 39.45 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.488 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.4 m -63.2 159.61 17.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.909 0.385 . . . . 0.0 110.838 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -126.21 139.47 53.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.851 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.65 87.31 0.63 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.451 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.3 p -111.55 39.9 2.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.848 0.356 . . . . 0.0 111.152 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -152.19 143.8 10.81 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.489 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -63.0 161.27 13.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.898 0.38 . . . . 0.0 110.871 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.0 mmtp -138.64 135.23 17.76 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.589 0.709 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -45.04 1.73 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.685 2.257 . . . . 0.0 112.353 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.552 ' CZ ' ' HB2' ' A' ' 25' ' ' SER . 30.5 m-85 -107.39 149.24 28.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -150.79 154.34 37.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.855 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.404 ' N ' ' O ' ' A' ' 20' ' ' MET . 2.1 t -88.54 112.16 22.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -73.09 0.86 10.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.426 ' HB2' ' NE2' ' A' ' 35' ' ' HIS . 2.6 mm-40 -93.76 -54.0 3.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -119.47 -21.63 7.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.23 4.3 38.22 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.452 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 17.4 mmm -57.8 130.0 44.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.848 0.356 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -95.94 148.78 22.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.564 ' CD1' HD11 ' A' ' 28' ' ' LEU . 69.8 m-85 -142.55 135.48 28.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 88.8 p -64.37 -51.33 63.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -81.42 165.79 20.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.552 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 31.7 t -81.45 -57.52 3.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 27' ' ' SER . 26.3 p -59.6 -47.38 85.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 26' ' ' CYS . 24.6 m -34.76 -51.33 0.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.823 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.564 HD11 ' CD1' ' A' ' 22' ' ' PHE . 19.3 tp -52.25 -53.57 42.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -44.88 -46.99 11.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.2 ttmt -53.83 -32.03 51.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -87.29 -39.38 15.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.9 mt -48.18 -41.89 28.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.419 ' C ' ' HD3' ' A' ' 33' ' ' ARG . 1.0 OUTLIER -49.44 -34.57 16.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.7 t -48.32 -19.43 0.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.426 ' NE2' ' HB2' ' A' ' 17' ' ' GLU . 80.4 m-70 -102.72 -28.93 11.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -69.11 -32.25 71.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.9 tpt85 -68.26 -62.42 1.41 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.8 m -68.1 135.0 51.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.42 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 8.3 t70 -107.05 139.79 20.77 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.594 0.711 . . . . 0.0 110.863 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.42 ' HD2' ' CG ' ' A' ' 39' ' ' ASP . 54.0 Cg_endo -69.78 87.21 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.725 2.284 . . . . 0.0 112.373 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.9 m -160.04 146.3 15.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 77.39 -174.6 54.58 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.514 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 85.35 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.68 2.253 . . . . 0.0 112.361 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 t -42.71 102.28 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.1 p -44.12 -46.29 8.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.143 -0.809 . . . . 0.0 112.512 180.0 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.4 m -82.99 175.39 10.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.348 . . . . 0.0 110.896 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -161.63 113.02 1.72 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.64 96.94 2.29 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.478 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 m -87.3 46.88 1.42 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.857 0.361 . . . . 0.0 110.839 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.9 m -83.45 48.12 1.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.7 150.44 0.31 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.465 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.0 t -68.32 -19.94 64.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.805 0.336 . . . . 0.0 111.108 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -158.82 -142.63 3.44 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.48 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.416 ' C ' ' HG2' ' A' ' 11' ' ' LYS . 5.7 pt-20 -102.06 167.96 9.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.906 0.384 . . . . 0.0 110.906 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.416 ' HG2' ' C ' ' A' ' 10' ' ' GLU . 24.2 mmmt -150.81 135.13 9.52 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.55 0.691 . . . . 0.0 110.938 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -50.61 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.653 2.236 . . . . 0.0 112.354 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.414 ' CD1' ' O ' ' A' ' 24' ' ' TRP . 86.6 m-85 -104.87 157.39 17.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -153.39 158.34 41.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 20' ' ' MET . 4.7 t -88.79 128.63 35.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -87.92 7.24 31.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.566 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 28.9 mm-40 -102.91 -55.32 2.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.3 p -116.71 -21.8 8.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.12 0.78 35.74 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.462 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.559 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 26.9 mmm -53.09 130.87 35.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.751 0.31 . . . . 0.0 110.859 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -99.67 149.82 22.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.556 ' CE1' HD13 ' A' ' 28' ' ' LEU . 54.0 m-85 -142.43 140.98 32.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.475 ' C ' ' CG ' ' A' ' 24' ' ' TRP . 58.5 m -85.95 34.58 0.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.475 ' CG ' ' C ' ' A' ' 23' ' ' SER . 2.2 m95 -158.52 178.85 9.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.5 t -105.97 -36.5 6.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.863 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 22.1 p -81.14 -47.01 14.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.9 m -43.07 -60.27 1.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.556 HD13 ' CE1' ' A' ' 22' ' ' PHE . 17.1 tp -42.29 -46.18 4.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -50.16 -44.65 52.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.4 ttmm -59.1 -24.97 63.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.559 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 14.2 t60 -93.23 -34.86 13.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.5 mt -56.42 -35.32 67.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -52.73 -20.05 2.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.76 -1.64 14.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.566 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 54.8 m-70 -127.43 -23.91 3.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.14 -48.2 21.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.473 ' HG3' ' N ' ' A' ' 38' ' ' THR . 0.4 OUTLIER -109.4 -35.73 6.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.473 ' N ' ' HG3' ' A' ' 37' ' ' ARG . 88.2 m -81.31 134.47 35.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -75.17 140.88 73.56 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.608 0.718 . . . . 0.0 110.858 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 176.84 6.25 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.699 2.266 . . . . 0.0 112.381 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.6 p -74.94 -45.57 41.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.844 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -167.06 -179.7 40.25 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.525 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 131.56 21.55 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.684 2.256 . . . . 0.0 112.321 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.6 m -129.67 41.87 3.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 68.0 m -108.52 122.36 46.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.108 -0.829 . . . . 0.0 112.504 -179.972 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t -105.14 87.93 2.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.845 0.355 . . . . 0.0 110.835 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.5 m -94.24 161.42 14.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.61 88.38 0.52 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.523 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.3 p -106.83 150.7 26.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.863 0.363 . . . . 0.0 110.847 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -115.09 97.82 6.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.852 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.72 162.84 12.99 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.451 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.7 p -48.64 139.02 9.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.814 0.34 . . . . 0.0 111.143 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -174.75 52.45 0.14 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.513 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -136.12 161.33 36.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.886 0.374 . . . . 0.0 110.849 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.414 ' HG3' ' CG ' ' A' ' 21' ' ' ASN . 40.5 mmtt -120.32 130.49 24.82 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.578 0.704 . . . . 0.0 110.926 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -45.84 1.44 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.693 2.262 . . . . 0.0 112.325 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.557 ' CZ ' ' HB3' ' A' ' 25' ' ' SER . 78.4 m-85 -109.04 151.37 26.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -145.41 153.45 41.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.9 t -84.64 125.14 32.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.19 5.64 33.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.907 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.407 ' HB2' ' NE2' ' A' ' 35' ' ' HIS . 4.2 mm-40 -99.74 -53.05 3.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.949 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.0 p -119.88 -23.52 6.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.5 -12.25 25.74 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.483 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.564 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 22.4 mmm -43.92 128.81 5.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.793 0.33 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.414 ' CG ' ' HG3' ' A' ' 11' ' ' LYS . 1.4 p-10 -97.49 159.0 15.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.561 ' CD1' HD12 ' A' ' 28' ' ' LEU . 88.3 m-85 -152.72 141.47 21.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.563 ' C ' ' CD1' ' A' ' 24' ' ' TRP . 1.3 t -86.44 29.68 0.76 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.814 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.563 ' CD1' ' C ' ' A' ' 23' ' ' SER . 1.7 m95 -163.52 145.35 9.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 71.7 p -68.31 -36.31 79.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.865 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 27' ' ' SER . 60.9 m -75.88 -55.01 6.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.836 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 26' ' ' CYS . 16.3 m -37.1 -55.01 0.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.561 HD12 ' CD1' ' A' ' 22' ' ' PHE . 13.4 tp -51.68 -47.73 63.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.879 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -48.97 -51.16 32.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.4 ttmm -52.42 -21.61 3.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.564 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 16.7 t60 -95.96 -43.27 7.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.87 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.3 mt -47.06 -33.98 5.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.468 ' HD3' ' N ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -51.71 -35.71 44.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.468 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 23.2 m -50.38 -17.98 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.407 ' NE2' ' HB2' ' A' ' 17' ' ' GLU . 55.6 m-70 -106.26 -27.56 10.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -66.79 -34.11 77.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.421 ' C ' ' HD2' ' A' ' 37' ' ' ARG . 5.4 ppt_? -78.95 -35.33 43.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.846 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.405 ' N ' ' HD2' ' A' ' 37' ' ' ARG . 74.0 m -45.94 134.72 7.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.423 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 6.2 t70 -104.07 141.58 22.81 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.589 0.709 . . . . 0.0 110.878 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.423 ' HD2' ' CG ' ' A' ' 39' ' ' ASP . 53.8 Cg_endo -69.79 99.35 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.682 2.255 . . . . 0.0 112.374 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.5 p -137.09 161.53 35.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.83 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 150.37 174.44 21.52 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.478 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 144.39 53.9 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.666 2.244 . . . . 0.0 112.37 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.1 t -108.37 85.61 2.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 64.7 p -165.0 110.31 0.93 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.882 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.452 -179.967 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m 54.09 42.07 31.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.891 0.377 . . . . 0.0 110.884 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.4 p -97.77 134.91 40.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.27 48.66 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.475 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.3 p -83.46 152.37 25.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.866 0.365 . . . . 0.0 110.861 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.8 m -70.84 -45.4 64.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.27 78.56 0.96 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.449 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.3 t -70.9 -19.75 62.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.812 0.339 . . . . 0.0 111.13 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -144.6 177.05 23.4 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.465 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -86.27 172.94 10.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.891 0.377 . . . . 0.0 110.911 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -148.01 128.15 6.7 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.631 0.729 . . . . 0.0 110.845 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -49.13 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.651 2.234 . . . . 0.0 112.349 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.48 ' CD2' ' O ' ' A' ' 24' ' ' TRP . 76.5 m-85 -100.09 143.23 30.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -144.22 163.73 32.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.5 t -93.94 128.18 40.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.7 mmmt -87.52 7.62 28.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.549 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 31.2 mm-40 -103.18 -55.4 2.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.9 p -116.33 -22.68 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.926 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.98 8.42 36.52 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.521 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.443 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 13.6 mmm -61.65 130.43 45.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.795 0.331 . . . . 0.0 110.895 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.8 p30 -97.23 150.21 21.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.563 ' CD1' HD12 ' A' ' 28' ' ' LEU . 28.1 m-85 -142.05 141.06 32.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.453 ' C ' ' CG ' ' A' ' 24' ' ' TRP . 4.3 t -85.32 33.63 0.56 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.871 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.48 ' O ' ' CD2' ' A' ' 13' ' ' PHE . 8.2 m95 -158.23 -177.22 6.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.946 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.0 p -107.06 -54.81 2.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 29' ' ' PHE . 72.8 m -63.82 -58.16 7.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.837 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 26' ' ' CYS . 26.8 m -34.29 -59.72 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.563 HD12 ' CD1' ' A' ' 22' ' ' PHE . 16.3 tp -42.57 -44.05 4.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 26' ' ' CYS . 12.3 t80 -53.66 -39.47 65.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt -61.26 -29.63 69.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -88.14 -40.79 13.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.6 mt -52.64 -39.55 61.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.8 ppt_? -52.19 -31.65 32.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.7 t -52.64 -18.32 1.72 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.549 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 63.6 m-70 -104.53 -28.44 11.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -68.89 -34.21 75.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -138.92 132.18 29.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.469 HG23 ' N ' ' A' ' 39' ' ' ASP . 92.4 m -142.26 147.71 36.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.469 ' N ' HG23 ' A' ' 38' ' ' THR . 0.6 OUTLIER -125.06 154.69 71.46 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.576 0.703 . . . . 0.0 110.881 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 1.42 4.43 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.698 2.265 . . . . 0.0 112.316 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.2 m -67.9 105.04 1.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 74.39 153.28 3.13 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.492 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.84 -165.41 0.15 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.665 2.244 . . . . 0.0 112.327 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 t -53.46 144.29 17.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.841 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 45.4 t -60.69 117.74 5.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 119.134 -0.814 . . . . 0.0 112.499 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.6 p -57.61 142.52 44.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.844 0.355 . . . . 0.0 110.875 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.0 t -125.93 90.5 3.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.852 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.66 164.5 28.22 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.451 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.2 p -66.2 136.5 55.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.924 0.392 . . . . 0.0 110.83 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.3 p -144.24 136.77 26.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.855 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.55 127.69 4.0 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.5 t -113.31 -23.59 9.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.813 0.34 . . . . 0.0 111.124 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -171.8 -111.93 0.27 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.478 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.37 158.42 19.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.874 0.368 . . . . 0.0 110.925 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -143.03 139.16 16.48 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.57 0.7 . . . . 0.0 110.927 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -47.87 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.698 2.265 . . . . 0.0 112.346 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.56 ' CZ ' ' HB3' ' A' ' 25' ' ' SER . 31.3 m-85 -103.52 144.31 31.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -145.25 156.04 43.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.8 t -86.07 143.31 28.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -99.62 -1.76 37.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.568 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 38.8 mm-40 -94.71 -57.01 2.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.9 p -113.85 -24.25 9.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.4 8.54 35.3 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.494 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.496 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 10.3 mmm -62.57 130.36 44.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.783 0.325 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.506 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 27.2 p30 -97.87 152.93 18.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.506 ' CD1' ' C ' ' A' ' 21' ' ' ASN . 12.9 m-85 -145.75 125.33 13.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.852 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.4 m -50.71 -48.76 58.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.5 m95 -79.32 170.47 16.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.56 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 82.5 p -88.56 -60.49 1.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 27' ' ' SER . 73.9 m -58.25 -46.82 85.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 26' ' ' CYS . 87.6 p -36.11 -45.2 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.5 tp -60.96 -49.76 76.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.964 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' A' ' 26' ' ' CYS . 4.2 t80 -49.54 -41.15 40.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.1 ttmt -60.33 -29.58 68.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -86.42 -42.67 13.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.8 mt -47.03 -38.04 10.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.424 ' C ' ' HD3' ' A' ' 33' ' ' ARG . 0.6 OUTLIER -54.57 -35.44 63.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.2 m -48.6 -21.23 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.568 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 51.9 m-70 -100.79 -27.84 13.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -75.16 -35.54 61.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.12 104.96 13.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.463 HG22 ' N ' ' A' ' 39' ' ' ASP . 97.3 m -156.03 144.25 19.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.463 ' N ' HG22 ' A' ' 38' ' ' THR . 15.2 m-20 -124.93 151.99 69.47 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.57 0.7 . . . . 0.0 110.854 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 128.85 16.56 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.628 2.219 . . . . 0.0 112.312 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.8 m -93.65 135.94 34.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.14 159.64 18.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.499 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 87.31 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.692 2.261 . . . . 0.0 112.344 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.0 m -131.34 80.61 1.94 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 t -172.54 118.78 0.37 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.498 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.5 m -98.2 100.28 11.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.838 0.351 . . . . 0.0 110.834 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.5 p -117.31 42.3 2.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.16 109.79 3.41 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.499 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.4 t -62.34 177.88 0.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 0.0 110.846 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 m -119.6 127.45 52.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.46 121.02 7.03 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.47 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.6 t -82.19 166.58 19.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.811 0.338 . . . . 0.0 111.155 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 178.75 174.92 45.39 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.487 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -108.37 148.47 30.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.884 0.373 . . . . 0.0 110.906 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -144.53 122.18 6.58 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.573 0.701 . . . . 0.0 110.852 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -44.89 1.79 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.688 2.259 . . . . 0.0 112.343 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.568 ' CD2' ' O ' ' A' ' 24' ' ' TRP . 31.8 m-85 -103.51 151.01 23.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.847 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -152.58 160.8 43.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 20' ' ' MET . 1.8 t -93.19 112.56 24.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.8 mmmt -71.72 1.07 7.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.402 ' HB2' ' NE2' ' A' ' 35' ' ' HIS . 7.9 mm-40 -94.82 -52.93 4.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.3 p -119.23 -22.55 7.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 105.55 5.65 39.2 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.502 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.444 ' O ' ' N ' ' A' ' 15' ' ' CYS . 19.8 mmm -58.39 131.98 52.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.792 0.33 . . . . 0.0 110.855 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -95.6 147.22 23.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.567 ' CD1' HD11 ' A' ' 28' ' ' LEU . 62.8 m-85 -140.81 123.37 16.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.7 m -55.63 -44.63 77.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.568 ' O ' ' CD2' ' A' ' 13' ' ' PHE . 3.9 m95 -81.91 -175.23 5.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.944 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 52.5 p -107.47 -39.44 5.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.867 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 29' ' ' PHE . 88.5 m -77.54 -51.98 9.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 26' ' ' CYS . 4.0 t -35.13 -43.06 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.567 HD11 ' CD1' ' A' ' 22' ' ' PHE . 16.2 tp -55.02 -48.11 73.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.892 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.448 ' N ' ' O ' ' A' ' 26' ' ' CYS . 17.6 t80 -50.69 -44.83 57.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.4 ttmt -56.78 -27.06 59.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -90.9 -40.65 11.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.7 mt -49.88 -37.03 29.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.416 ' C ' ' HD3' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -50.95 -32.79 22.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 63.6 p -51.41 -20.23 1.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.402 ' NE2' ' HB2' ' A' ' 17' ' ' GLU . 69.6 m-70 -103.11 -28.81 11.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.853 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -68.01 -30.7 70.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.5 tpt180 -102.23 95.43 6.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 90.7 m -99.04 144.43 28.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.186 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.424 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 2.2 t70 -111.17 140.8 23.22 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.541 0.686 . . . . 0.0 110.853 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.424 ' HD2' ' CG ' ' A' ' 39' ' ' ASP . 53.9 Cg_endo -69.72 106.38 1.64 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.7 2.267 . . . . 0.0 112.367 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 m -164.28 167.36 19.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -93.91 162.82 25.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.49 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 146.92 61.45 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.704 2.269 . . . . 0.0 112.312 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.7 t -78.6 82.4 4.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 89.3 p 37.77 43.64 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.825 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.172 -0.793 . . . . 0.0 112.52 179.959 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.7 m -107.01 119.78 40.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.908 0.385 . . . . 0.0 110.802 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.3 p -109.74 82.1 1.54 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.874 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.37 69.35 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.544 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t -138.25 133.73 33.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.913 0.387 . . . . 0.0 110.859 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.5 t -163.07 147.79 11.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.837 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.38 -156.43 15.63 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.508 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.1 t -134.21 139.71 45.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.835 0.35 . . . . 0.0 111.124 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -141.26 63.73 0.52 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.525 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -117.65 152.91 34.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.859 0.361 . . . . 0.0 110.877 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.2 mmtm -144.0 138.15 14.78 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.632 0.729 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -45.94 1.38 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.679 2.253 . . . . 0.0 112.369 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.486 ' CZ ' ' HB3' ' A' ' 25' ' ' SER . 79.4 m-85 -111.92 139.31 47.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -135.66 153.96 51.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.426 ' N ' ' O ' ' A' ' 20' ' ' MET . 12.5 t -84.0 135.55 34.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.02 6.44 47.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.473 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 15.2 mm-40 -102.96 -54.26 2.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -118.78 -22.54 7.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.822 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.33 -6.48 30.28 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.547 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 29.7 mmm -48.81 129.03 16.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.756 0.312 . . . . 0.0 110.887 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.41 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 46.1 m-80 -105.77 150.12 25.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.464 ' CZ ' ' HE3' ' A' ' 20' ' ' MET . 9.8 m-85 -139.11 149.45 44.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.439 ' OG ' ' CD1' ' A' ' 24' ' ' TRP . 50.3 p -79.3 -26.47 42.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.439 ' CD1' ' OG ' ' A' ' 23' ' ' SER . 1.2 m95 -107.65 132.99 52.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.913 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.486 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 94.9 p -53.72 -53.65 49.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.872 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 27' ' ' SER . 61.7 m -57.51 -53.51 57.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 26' ' ' CYS . 2.7 m -35.0 -63.84 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.46 HD13 ' CE1' ' A' ' 22' ' ' PHE . 13.7 tp -40.41 -49.51 2.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -49.2 -49.97 40.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.2 ttmm -54.05 -22.36 10.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.547 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 12.3 t60 -94.73 -40.78 9.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.5 mt -51.74 -31.18 25.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.45 ' HD2' ' N ' ' A' ' 34' ' ' SER . 3.9 ppt_? -55.5 -39.63 70.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.45 ' N ' ' HD2' ' A' ' 33' ' ' ARG . 7.3 m -47.23 -20.17 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.473 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 63.9 m-70 -101.11 -29.69 12.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -68.24 -28.81 67.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.4 tpm_? -117.22 116.07 26.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 95.9 m -147.58 120.19 8.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.17 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -58.91 -58.03 22.54 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.594 0.712 . . . . 0.0 110.866 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.524 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 54.2 Cg_endo -69.77 168.4 21.67 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.728 2.286 . . . . 0.0 112.313 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 84.1 p -106.18 131.54 53.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -93.29 -176.15 40.5 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.505 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -3.39 11.88 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.714 2.276 . . . . 0.0 112.348 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.1 t -75.39 85.55 2.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.5 m -95.46 102.04 13.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.162 -0.799 . . . . 0.0 112.513 179.994 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.1 p -155.76 155.68 33.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.903 0.382 . . . . 0.0 110.831 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.8 p -105.53 174.06 6.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.87 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.91 104.02 0.73 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.457 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.4 m -91.47 91.0 7.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.907 0.384 . . . . 0.0 110.878 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.8 t -54.33 114.49 1.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.02 -90.82 1.93 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.457 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.3 t -91.86 149.51 21.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.833 0.349 . . . . 0.0 111.119 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.52 60.98 0.19 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -69.33 164.69 22.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.971 0.415 . . . . 0.0 110.874 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.431 ' NZ ' ' HA ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -108.55 126.59 29.18 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.595 0.712 . . . . 0.0 110.875 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.77 -44.73 1.9 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.696 2.264 . . . . 0.0 112.382 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.551 ' CZ ' ' HB2' ' A' ' 25' ' ' SER . 82.0 m-85 -113.62 155.23 25.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -149.51 159.82 43.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.423 ' N ' ' O ' ' A' ' 20' ' ' MET . 7.0 t -87.07 138.2 31.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.4 mmtp -97.05 5.18 50.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.546 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 23.4 mm-40 -101.69 -54.2 2.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -117.12 -22.94 8.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.64 6.18 35.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.492 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.543 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 26.5 mmm -56.97 130.01 44.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.76 0.314 . . . . 0.0 110.853 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.1 p30 -98.09 146.55 25.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.547 ' CD1' HD11 ' A' ' 28' ' ' LEU . 48.2 m-85 -138.25 142.32 39.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.1 m -69.78 -46.6 65.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.6 m95 -82.7 -176.6 6.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.551 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 34.7 t -104.34 -36.73 7.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 27' ' ' SER . 79.1 m -78.02 -53.78 7.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 26' ' ' CYS . 3.4 t -34.74 -45.6 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.547 HD11 ' CD1' ' A' ' 22' ' ' PHE . 17.1 tp -51.86 -50.3 61.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.926 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.405 ' N ' ' O ' ' A' ' 26' ' ' CYS . 16.7 t80 -48.75 -45.43 39.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.0 ttmm -54.29 -28.52 42.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.543 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 10.4 t60 -91.53 -42.09 10.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.4 mt -50.71 -38.61 48.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.403 ' HD2' ' N ' ' A' ' 34' ' ' SER . 7.2 ppt_? -51.7 -32.09 28.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.403 ' N ' ' HD2' ' A' ' 33' ' ' ARG . 22.9 t -53.43 -18.61 2.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.808 -179.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.546 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 66.7 m-70 -104.58 -28.18 11.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.823 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -69.57 -33.28 72.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -83.25 -49.92 8.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 98.5 m -55.88 151.04 12.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -90.8 135.96 28.31 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.575 0.702 . . . . 0.0 110.875 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -174.04 0.83 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.71 2.273 . . . . 0.0 112.375 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 79.5 p -174.31 121.68 0.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.884 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.56 173.74 54.83 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.497 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.7 Cg_endo -69.75 -45.41 1.6 Allowed 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.704 2.27 . . . . 0.0 112.351 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 43' ' ' PRO . 81.6 p 35.82 42.67 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 44' ' ' SER . 93.3 p -37.19 118.01 0.58 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.859 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.477 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.3 m -71.39 -50.48 31.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.868 0.366 . . . . 0.0 110.885 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.8 m -80.64 153.27 28.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.53 -115.31 4.7 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.449 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 t -160.18 131.84 6.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.861 0.362 . . . . 0.0 110.9 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.7 m -119.76 42.2 2.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.86 159.17 8.04 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.5 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.9 t -141.08 110.96 6.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.855 0.36 . . . . 0.0 111.152 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -167.57 -122.5 0.61 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.464 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.423 ' C ' ' HE3' ' A' ' 11' ' ' LYS . 12.2 pt-20 -139.94 164.23 30.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.965 0.412 . . . . 0.0 110.891 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.423 ' HE3' ' C ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -91.16 120.43 68.53 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.57 0.7 . . . . 0.0 110.92 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -39.28 6.76 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.679 2.253 . . . . 0.0 112.345 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.445 ' CZ ' ' HB2' ' A' ' 25' ' ' SER . 69.9 m-85 -110.1 151.03 27.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.81 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -145.13 163.0 35.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.478 ' N ' ' O ' ' A' ' 20' ' ' MET . 4.0 t -92.88 114.62 27.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.0 mmtm -75.15 1.88 12.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.428 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 46.7 mm-40 -94.99 -51.24 4.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -123.93 -20.5 5.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.98 -0.76 33.64 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.478 ' O ' ' N ' ' A' ' 15' ' ' CYS . 16.8 mmm -51.95 131.13 31.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 0.0 110.855 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -96.99 149.32 22.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.558 ' CD1' HD11 ' A' ' 28' ' ' LEU . 79.4 m-85 -143.43 126.15 16.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 78.1 p -56.39 -49.63 73.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -83.55 169.23 15.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.445 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 35.4 t -85.15 -60.95 1.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 27' ' ' SER . 93.2 m -54.53 -48.76 71.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 26' ' ' CYS . 73.9 m -34.64 -55.0 0.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.826 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.558 HD11 ' CD1' ' A' ' 22' ' ' PHE . 16.6 tp -47.06 -50.57 19.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.895 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -48.88 -47.24 43.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -54.01 -27.27 30.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -91.87 -39.42 11.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.5 mt -49.8 -39.24 37.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.2 ppt_? -52.03 -32.78 35.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.5 t -54.46 -14.64 1.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.428 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 90.5 m-70 -103.32 -31.19 10.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -69.78 -20.99 63.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 38.0 ttt180 -132.05 152.0 51.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.5 m -148.75 132.04 16.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -85.73 152.54 57.04 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.601 0.715 . . . . 0.0 110.826 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -2.61 10.46 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.637 2.225 . . . . 0.0 112.328 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.7 p -125.75 158.57 34.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.72 162.88 44.6 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.463 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 115.21 3.98 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.685 2.257 . . . . 0.0 112.342 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 81.6 p -41.5 155.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.3 p -75.8 122.9 24.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 CA-C-O 119.187 -0.785 . . . . 0.0 112.491 -179.948 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t -80.04 118.68 21.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.856 0.36 . . . . 0.0 110.829 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.6 p -152.81 171.48 18.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.852 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 47.48 42.99 20.08 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.516 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.9 t -139.68 146.94 40.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.844 0.354 . . . . 0.0 110.901 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.7 p -59.59 -44.48 93.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.2 135.02 1.91 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.4 t -62.47 164.65 7.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.825 0.345 . . . . 0.0 111.158 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 119.13 -146.25 18.26 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.512 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -149.26 164.53 34.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.953 0.406 . . . . 0.0 110.865 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.4 mmtm -144.95 140.24 16.01 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.616 0.722 . . . . 0.0 110.842 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 -49.96 0.5 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.631 2.22 . . . . 0.0 112.36 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.561 ' CZ ' ' HB2' ' A' ' 25' ' ' SER . 41.1 m-85 -97.29 142.09 29.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -142.11 153.36 44.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.928 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.41 ' N ' ' O ' ' A' ' 20' ' ' MET . 12.1 t -81.62 132.42 35.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.88 7.41 42.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.485 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 3.7 mm-40 -103.83 -49.39 3.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -124.26 -22.5 4.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.74 -7.62 29.77 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.454 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.565 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 33.1 mmm -47.76 129.6 14.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.805 0.336 . . . . 0.0 110.867 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.512 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 0.8 OUTLIER -99.27 160.82 14.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.568 ' CD1' HD13 ' A' ' 28' ' ' LEU . 59.0 m-85 -154.43 114.45 3.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.1 t -43.85 -38.19 3.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 3.0 m95 -91.43 169.0 11.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.561 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 43.0 t -89.44 -51.62 5.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 27' ' ' SER . 86.1 m -62.25 -50.93 69.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 26' ' ' CYS . 15.1 m -36.25 -55.86 0.78 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.735 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.568 HD13 ' CD1' ' A' ' 22' ' ' PHE . 14.5 tp -50.06 -49.15 52.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -47.48 -51.01 21.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.3 ttmm -53.79 -25.6 19.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.565 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 15.5 t60 -90.33 -39.07 12.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.4 mt -53.08 -39.58 63.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.467 ' HD2' ' N ' ' A' ' 34' ' ' SER . 8.3 ppt_? -50.53 -37.85 41.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.467 ' N ' ' HD2' ' A' ' 33' ' ' ARG . 52.9 p -44.18 -22.51 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.485 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 35.4 m-70 -101.82 -29.03 12.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 33' ' ' ARG . 4.8 pt-20 -66.32 -27.68 68.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.0 ptt180 -94.5 146.96 23.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 89.0 m -141.04 115.1 9.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.484 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 4.1 m-20 -64.21 -60.17 9.33 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.642 0.735 . . . . 0.0 110.862 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 39' ' ' ASP . 54.0 Cg_endo -69.75 107.45 1.86 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.669 2.246 . . . . 0.0 112.323 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.9 t -76.85 91.58 3.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -169.58 165.05 38.51 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.489 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 106.36 1.66 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.694 2.263 . . . . 0.0 112.335 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 36.8 p -119.28 95.43 4.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.2 m -107.69 102.13 11.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.105 -0.83 . . . . 0.0 112.485 -179.992 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.9 p -46.62 135.5 8.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.873 0.368 . . . . 0.0 110.875 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.6 t -51.97 139.09 23.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.45 62.46 0.48 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.488 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.3 t -92.64 -53.45 4.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.893 0.377 . . . . 0.0 110.852 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.3 p -95.86 128.96 43.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.877 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.38 -153.63 6.78 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.451 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.0 t -108.55 -18.57 13.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.833 0.349 . . . . 0.0 111.115 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 138.91 -143.02 13.57 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.498 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -106.27 176.62 5.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.893 0.377 . . . . 0.0 110.914 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.479 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -127.83 95.38 34.82 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.551 0.691 . . . . 0.0 110.97 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -32.69 18.31 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.641 2.227 . . . . 0.0 112.376 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -108.33 144.71 35.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -140.25 157.82 44.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.1 t -86.62 133.89 33.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -94.6 6.96 47.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -103.09 -48.38 4.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.7 p -122.65 -22.7 5.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.09 7.23 38.46 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.504 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.451 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 14.3 mmm -58.47 129.63 42.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.798 0.333 . . . . 0.0 110.881 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -95.08 143.2 26.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.526 ' CD1' HD13 ' A' ' 28' ' ' LEU . 76.9 m-85 -136.74 145.58 44.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 45.3 t -75.6 -51.26 13.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -82.95 170.91 14.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.0 t -85.84 -55.86 3.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 26.2 p -61.39 -37.28 82.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.913 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.7 m -45.77 -50.44 13.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.526 HD13 ' CD1' ' A' ' 22' ' ' PHE . 17.3 tp -53.15 -52.5 58.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -46.36 -45.51 17.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.8 ttpp -54.42 -30.15 51.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.451 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 14.7 t60 -89.6 -42.5 11.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.832 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.9 mt -48.28 -38.85 19.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.946 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.418 ' C ' ' HD3' ' A' ' 33' ' ' ARG . 0.6 OUTLIER -51.84 -32.36 31.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 67.4 m -54.95 -14.29 1.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -106.05 -29.73 9.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -70.32 -25.4 63.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.2 ttm105 -71.04 -60.97 1.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 95.5 m -46.12 150.41 0.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -123.62 143.92 43.0 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.578 0.704 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 93.82 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.681 2.254 . . . . 0.0 112.34 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.9 m -124.69 170.24 11.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.5 170.89 12.57 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.458 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 97.17 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.679 2.253 . . . . 0.0 112.358 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 45' ' ' SER . 49.6 p -146.71 133.54 20.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 44' ' ' SER . 1.7 t 35.76 42.06 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.494 -179.961 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.9 p -88.83 -31.44 18.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 0.0 110.848 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.5 p -173.66 164.98 4.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.6 -137.71 3.07 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.1 t -133.73 152.92 52.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.872 0.368 . . . . 0.0 110.894 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.2 t -131.76 114.06 14.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.19 149.84 21.56 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.453 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.2 t -168.34 157.74 9.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.802 0.334 . . . . 0.0 111.139 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -84.11 -167.51 42.49 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.461 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.421 ' C ' ' HE2' ' A' ' 11' ' ' LYS . 0.4 OUTLIER -80.3 143.9 33.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.859 0.361 . . . . 0.0 110.866 -179.846 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.421 ' HE2' ' C ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -108.34 92.38 9.67 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.61 0.719 . . . . 0.0 110.851 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.532 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.82 -38.33 7.83 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.694 2.262 . . . . 0.0 112.339 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.562 ' CZ ' ' HB3' ' A' ' 25' ' ' SER . 42.8 m-85 -98.88 148.42 23.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -147.74 155.67 41.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.0 t -88.59 121.71 31.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.8 mmmm -82.22 7.23 14.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.432 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 2.6 mm-40 -102.03 -54.55 2.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.87 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.9 p -116.43 -23.17 8.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.67 3.42 37.23 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.46 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.555 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 32.3 mmm -54.73 129.56 37.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.85 0.357 . . . . 0.0 110.845 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.442 ' C ' ' OD1' ' A' ' 21' ' ' ASN . 12.7 p30 -94.15 152.63 18.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.52 ' CE1' ' HB3' ' A' ' 20' ' ' MET . 62.7 m-85 -148.97 137.62 21.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 92.2 p -71.91 -49.76 35.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.561 ' O ' ' CD2' ' A' ' 13' ' ' PHE . 2.1 m95 -77.46 -179.88 6.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.562 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 77.6 p -97.7 -58.9 1.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.886 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 27' ' ' SER . 73.3 m -58.05 -46.59 85.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 26' ' ' CYS . 68.1 m -37.45 -55.16 1.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.415 HD13 ' CD1' ' A' ' 22' ' ' PHE . 15.2 tp -49.03 -51.48 30.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.909 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -48.27 -46.04 35.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.901 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -55.11 -26.84 40.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.555 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 12.5 t60 -91.81 -41.15 10.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.3 mt -52.22 -36.26 51.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.963 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.407 ' HD2' ' C ' ' A' ' 33' ' ' ARG . 6.7 ppt_? -53.14 -28.24 24.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.1 m -59.37 -13.34 8.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.432 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 71.9 m-70 -108.39 -27.84 9.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.838 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -70.41 -33.19 71.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.857 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.0 ttt85 -89.82 -57.5 2.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 90.9 m -104.47 149.34 25.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.112 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -85.34 135.17 39.2 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.584 0.707 . . . . 0.0 110.916 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 150.0 67.55 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.705 2.27 . . . . 0.0 112.337 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 t -136.48 119.1 15.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 120.94 176.3 15.42 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.526 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 155.03 67.05 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.721 2.281 . . . . 0.0 112.312 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.7 p -133.65 119.02 18.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.0 m -68.85 130.05 41.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.503 -179.964 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.7 t -94.18 43.21 1.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.899 0.381 . . . . 0.0 110.919 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.7 p -38.35 -40.77 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.874 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.34 92.59 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.486 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m -55.62 -58.61 7.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.874 0.369 . . . . 0.0 110.846 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.3 p -147.35 133.8 19.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.91 -142.52 8.91 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.507 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.3 t -152.63 145.06 24.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.817 0.341 . . . . 0.0 111.119 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.58 48.67 2.92 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.445 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -68.61 153.64 43.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.881 0.372 . . . . 0.0 110.879 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -97.89 119.61 61.92 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.582 0.706 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -49.56 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.309 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.554 ' CZ ' ' HB2' ' A' ' 25' ' ' SER . 74.9 m-85 -91.62 155.77 18.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -147.74 157.46 43.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.916 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.418 ' N ' ' O ' ' A' ' 20' ' ' MET . 6.0 t -87.74 122.84 31.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -82.57 4.44 24.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.467 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 3.3 mm-40 -98.37 -58.51 1.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -115.36 -21.86 9.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.49 -10.82 28.31 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.501 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.54 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 14.3 mmm -43.81 130.65 5.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.769 0.319 . . . . 0.0 110.856 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.465 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 0.5 OUTLIER -100.59 156.11 17.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.556 ' CE1' HD11 ' A' ' 28' ' ' LEU . 35.1 m-85 -147.09 145.18 29.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.574 ' C ' ' CG ' ' A' ' 24' ' ' TRP . 10.7 t -86.4 34.23 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.574 ' CG ' ' C ' ' A' ' 23' ' ' SER . 1.0 OUTLIER -163.92 174.97 10.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.929 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.554 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 31.3 t -96.23 -38.66 10.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 27' ' ' SER . 60.9 m -76.34 -55.05 5.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 26' ' ' CYS . 62.5 m -35.59 -56.59 0.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.556 HD11 ' CE1' ' A' ' 22' ' ' PHE . 17.1 tp -48.49 -49.68 34.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.929 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -48.75 -51.21 30.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.1 ttpp -52.59 -22.96 5.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.54 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 11.5 t60 -94.54 -40.73 9.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.452 HD21 ' CG ' ' A' ' 17' ' ' GLU . 7.1 mt -52.3 -33.7 43.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.459 ' HD3' ' N ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -52.33 -38.39 58.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.459 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 14.9 m -47.38 -19.96 0.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 -179.782 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.467 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 57.8 m-70 -101.81 -29.96 11.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -68.38 -28.89 67.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.5 tpp180 -116.01 97.78 6.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 83.0 m -148.44 124.6 10.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.157 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.498 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 0.1 OUTLIER -67.86 -59.0 7.15 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.536 0.684 . . . . 0.0 110.834 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 39' ' ' ASP . 53.5 Cg_endo -69.81 -169.32 0.32 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.656 2.238 . . . . 0.0 112.342 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.8 p -99.26 -18.19 17.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 127.18 161.57 10.89 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.52 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 150.52 68.27 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.637 2.225 . . . . 0.0 112.346 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 73.4 p -47.5 121.8 4.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.8 m -171.81 146.85 2.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.864 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.457 -179.967 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.7 p 39.81 42.21 0.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.871 0.367 . . . . 0.0 110.833 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 m -51.0 -60.8 2.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.82 143.51 3.69 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.48 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.0 m -75.79 -46.29 31.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.88 0.371 . . . . 0.0 110.849 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 t -79.07 91.51 4.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.814 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.77 95.02 0.17 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.487 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.8 t -100.24 -19.29 16.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.787 0.327 . . . . 0.0 111.149 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -136.59 139.63 10.8 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.48 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -81.88 148.42 28.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.856 0.36 . . . . 0.0 110.9 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm -101.83 113.11 65.93 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.636 0.731 . . . . 0.0 110.891 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -46.67 1.14 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.762 2.308 . . . . 0.0 112.288 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.49 ' CZ ' ' OG ' ' A' ' 25' ' ' SER . 93.6 m-85 -92.53 153.46 19.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -149.22 158.9 44.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.453 ' N ' ' O ' ' A' ' 20' ' ' MET . 2.2 t -91.66 113.28 25.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.4 mmmm -74.03 1.16 11.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.415 ' HB2' ' NE2' ' A' ' 35' ' ' HIS . 3.6 mm-40 -94.09 -53.52 3.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -119.96 -21.86 6.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.53 1.78 35.01 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.564 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 28.8 mmm -55.0 129.71 38.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.743 0.306 . . . . 0.0 110.877 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -96.08 150.51 20.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.46 ' CZ ' ' HE3' ' A' ' 20' ' ' MET . 80.7 m-85 -144.43 134.19 23.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 t -65.38 -49.17 70.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.7 m95 -77.37 -179.06 5.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.49 ' OG ' ' CZ ' ' A' ' 13' ' ' PHE . 7.7 m -97.92 -58.76 1.91 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 27' ' ' SER . 26.3 p -62.31 -45.54 92.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 26' ' ' CYS . 55.8 m -35.26 -48.54 0.46 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.716 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.442 HD11 ' CD1' ' A' ' 22' ' ' PHE . 17.5 tp -52.6 -50.92 62.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -47.02 -46.9 22.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -53.97 -29.19 41.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.942 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.564 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 14.5 t60 -90.04 -40.07 12.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.1 mt -49.27 -40.74 35.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.461 ' HD2' ' N ' ' A' ' 34' ' ' SER . 4.6 ppt_? -48.85 -37.56 19.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.461 ' N ' ' HD2' ' A' ' 33' ' ' ARG . 59.8 p -44.88 -22.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.415 ' NE2' ' HB2' ' A' ' 17' ' ' GLU . 71.2 m-70 -99.63 -29.54 12.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 33' ' ' ARG . 6.8 pt-20 -68.15 -31.29 70.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 38' ' ' THR . 10.1 tpt180 -63.93 160.69 17.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.45 ' C ' ' O ' ' A' ' 37' ' ' ARG . 53.5 m -33.33 127.86 0.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.164 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -73.36 143.03 82.35 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.576 0.703 . . . . 0.0 110.895 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 153.24 69.0 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.692 2.261 . . . . 0.0 112.305 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.4 t -101.36 43.78 1.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -117.07 177.38 16.65 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.453 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 138.55 38.07 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.628 2.219 . . . . 0.0 112.361 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.3 m -67.48 105.16 1.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.6 p -134.19 111.2 10.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.845 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.187 -0.785 . . . . 0.0 112.474 179.986 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.9 p -115.69 174.19 6.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.902 0.382 . . . . 0.0 110.824 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.2 m -131.72 -45.59 0.97 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.875 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.8 -126.21 1.54 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.3 m -125.15 -52.42 1.64 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.851 0.358 . . . . 0.0 110.82 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.7 p -140.37 130.19 24.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.11 132.28 2.54 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.485 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.0 t -164.6 149.51 9.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.816 0.341 . . . . 0.0 111.154 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 157.87 117.72 0.52 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -118.21 126.46 52.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.914 0.388 . . . . 0.0 110.838 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.47 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -129.54 141.29 41.3 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.577 0.703 . . . . 0.0 110.914 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -50.76 0.44 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.695 2.263 . . . . 0.0 112.322 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.551 ' CZ ' ' HB3' ' A' ' 25' ' ' SER . 50.0 m-85 -117.05 154.04 31.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -143.15 153.72 43.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 19' ' ' GLY . 2.0 t -89.64 113.08 24.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.8 mmmt -71.84 1.49 6.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.929 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.412 ' HB2' ' NE2' ' A' ' 35' ' ' HIS . 33.5 mm-40 -95.49 -48.53 5.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.5 p -124.8 -22.26 4.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.834 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 105.11 6.8 39.08 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.534 ' HE3' ' CZ ' ' A' ' 22' ' ' PHE . 22.4 mmm -59.57 131.43 50.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.804 0.335 . . . . 0.0 110.883 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.414 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 1.4 p-10 -97.99 144.58 27.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.534 ' CZ ' ' HE3' ' A' ' 20' ' ' MET . 71.5 m-85 -138.3 137.02 37.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.8 p -68.64 -41.74 78.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -88.91 159.77 17.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.969 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.551 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 20.2 p -76.64 -56.11 4.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.876 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 27' ' ' SER . 90.2 m -62.36 -46.56 88.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 26' ' ' CYS . 12.2 m -34.91 -50.05 0.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.803 -179.726 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.431 HD12 ' CD1' ' A' ' 22' ' ' PHE . 16.9 tp -54.04 -52.48 60.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -46.94 -46.79 21.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.9 ttmt -54.77 -28.54 49.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -90.14 -40.16 12.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.8 mt -48.01 -40.27 22.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.961 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.42 ' HD3' ' N ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -50.18 -34.9 24.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 179.899 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.42 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 91.5 p -49.4 -19.11 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.751 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.412 ' NE2' ' HB2' ' A' ' 17' ' ' GLU . 82.7 m-70 -102.06 -29.78 11.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -69.82 -21.5 63.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.432 ' C ' ' HD2' ' A' ' 37' ' ' ARG . 1.2 tmm_? -102.38 151.35 22.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 91.2 m -122.01 142.34 50.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.18 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -79.78 139.13 53.99 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.573 0.702 . . . . 0.0 110.904 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -11.77 31.56 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.713 2.276 . . . . 0.0 112.356 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.9 t -47.21 128.3 11.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.843 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 120.88 151.57 8.65 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.491 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -49.48 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.682 2.255 . . . . 0.0 112.334 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.0 m -107.21 143.13 35.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.855 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 88.9 p -116.53 129.11 56.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 CA-C-O 119.126 -0.819 . . . . 0.0 112.508 179.99 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo . . . . . 0 C--O 1.231 0.16 0 CA-C-O 120.841 0.267 . . . . 0.0 112.352 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.579 ' CZ ' ' HB3' ' A' ' 25' ' ' SER . 47.6 m-85 -95.83 151.64 19.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -150.2 155.27 39.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.422 ' N ' ' O ' ' A' ' 20' ' ' MET . 7.4 t -84.96 136.69 33.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -95.8 7.25 46.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.507 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 21.2 mm-40 -103.66 -50.91 3.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.2 p -121.64 -21.95 6.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.81 2.7 36.88 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.521 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.436 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 20.0 mmm -55.83 131.64 47.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.809 0.337 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -98.63 154.14 18.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.436 ' CE1' ' HB3' ' A' ' 20' ' ' MET . 62.0 m-85 -147.14 126.89 13.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 35.7 m -53.99 -55.68 24.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.823 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.2 m95 -74.78 177.14 6.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 75.3 p -93.79 -59.24 2.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.443 ' O ' ' C ' ' A' ' 27' ' ' SER . 25.7 p -56.09 -48.13 76.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 26' ' ' CYS . 69.8 m -34.71 -58.69 0.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.822 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.8 tp -42.43 -51.1 5.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.934 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -49.69 -47.66 50.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.0 ttmt -53.43 -26.56 20.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.934 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -92.73 -38.21 11.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.2 mt -50.34 -39.93 47.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.462 ' HD3' ' N ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -50.17 -36.24 29.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.462 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 33.3 t -47.48 -21.18 0.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.507 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 69.0 m-70 -102.19 -28.51 12.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.908 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 N--CA 1.466 -0.127 0 CA-C-O 120.825 0.26 . . . . 0.0 112.297 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -92.45 148.91 21.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -149.37 157.39 43.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 20' ' ' MET . 3.1 t -91.35 126.06 36.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.1 8.15 21.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.463 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 29.2 mm-40 -103.54 -52.12 3.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.7 p -119.36 -22.55 7.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.09 4.49 38.55 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.488 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.445 ' O ' ' N ' ' A' ' 15' ' ' CYS . 25.2 mmm -57.72 132.77 54.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.341 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -99.07 152.29 20.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.428 ' CE1' ' HB3' ' A' ' 20' ' ' MET . 58.6 m-85 -145.19 133.93 22.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.0 p -67.17 -47.04 72.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.7 m95 -78.65 -179.67 6.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.9 m -96.66 -58.06 2.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.454 ' O ' ' C ' ' A' ' 27' ' ' SER . 81.2 m -62.2 -46.85 87.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 26' ' ' CYS . 71.2 m -34.43 -50.78 0.44 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.822 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.8 tp -53.14 -52.13 59.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -47.83 -44.9 29.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.9 ttmm -55.69 -29.09 58.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.406 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 12.6 t60 -89.84 -41.0 12.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.8 mt -49.37 -39.18 31.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.466 ' HD3' ' N ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -50.07 -37.61 34.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.92 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.466 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 36.5 t -47.43 -21.11 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.463 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 77.1 m-70 -101.97 -28.72 12.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 -179.908 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.819 0.258 . . . . 0.0 112.381 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -100.61 152.64 20.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -152.0 157.5 41.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.426 ' N ' ' O ' ' A' ' 20' ' ' MET . 4.5 t -87.58 126.35 34.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -86.6 7.11 27.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.541 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 20.9 mm-40 -101.98 -56.07 2.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.6 p -116.31 -22.2 8.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.23 0.43 33.34 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.453 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.518 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 28.7 mmm -53.56 129.36 32.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.773 0.32 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.3 p30 -97.66 151.73 19.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.467 ' CE1' ' HB3' ' A' ' 20' ' ' MET . 42.3 m-85 -144.67 145.04 31.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.845 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.8 t -72.32 -54.83 8.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -73.68 -178.28 3.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 88.5 p -99.54 -49.46 4.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.829 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.423 ' O ' ' C ' ' A' ' 27' ' ' SER . 25.2 p -67.54 -46.5 72.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 26' ' ' CYS . 58.1 m -36.73 -52.09 0.89 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.2 tp -50.22 -49.79 51.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -47.81 -47.22 31.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.5 ttpp -54.03 -29.12 42.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.518 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 17.0 t60 -89.87 -37.51 14.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.7 mt -54.95 -39.48 68.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.41 ' C ' ' HD2' ' A' ' 33' ' ' ARG . 2.5 ppt_? -51.82 -31.07 25.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.1 t -55.45 -13.95 1.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.541 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 87.2 m-70 -105.7 -29.96 9.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.835 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 -179.914 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.171 0 CA-C-O 120.777 0.24 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.448 ' CZ ' ' HB3' ' A' ' 25' ' ' SER . 84.0 m-85 -107.59 150.2 27.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -148.34 153.59 38.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.0 t -82.21 140.54 33.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.889 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -98.72 1.32 45.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.543 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 3.2 mm-40 -97.5 -56.03 2.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.7 p -115.34 -24.2 8.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.44 -8.56 28.47 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.484 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.537 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 29.2 mmm -45.52 129.93 8.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.789 0.328 . . . . 0.0 110.876 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.499 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 15.5 p30 -101.14 156.82 17.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.499 ' CD1' ' C ' ' A' ' 21' ' ' ASN . 24.1 m-85 -147.28 147.31 30.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.564 ' C ' ' CG ' ' A' ' 24' ' ' TRP . 13.9 m -89.54 33.06 0.84 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.844 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.564 ' CG ' ' C ' ' A' ' 23' ' ' SER . 1.6 m95 -163.46 164.47 24.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.448 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 34.4 p -85.28 -39.27 17.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.848 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 26.0 p -76.61 -48.13 20.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 52.6 m -41.37 -57.15 2.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.5 tp -49.81 -50.71 44.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -48.31 -52.57 20.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -50.52 -23.34 2.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.537 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 9.6 t60 -95.63 -39.41 9.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.6 mt -51.91 -36.37 48.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -50.7 -42.52 57.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.454 ' N ' ' HD2' ' A' ' 33' ' ' ARG . 42.3 p -41.96 -24.8 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.82 -179.757 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.543 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 69.3 m-70 -97.35 -29.72 13.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.835 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 33' ' ' ARG . 4.1 pt-20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.162 0 CA-C-O 120.787 0.244 . . . . 0.0 112.349 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 25' ' ' SER . 50.7 m-85 -101.98 146.66 27.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -145.0 152.48 40.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.8 t -81.79 125.54 30.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -84.88 5.25 29.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.445 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 3.4 mm-40 -99.76 -57.73 2.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -116.12 -22.54 8.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.69 -4.41 29.25 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.528 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.546 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 16.5 mmm -49.69 129.02 19.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.794 0.331 . . . . 0.0 110.896 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.485 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 29.2 p30 -95.26 157.75 15.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.485 ' CD1' ' C ' ' A' ' 21' ' ' ASN . 55.4 m-85 -151.35 120.48 6.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.5 t -49.98 -44.61 50.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -87.81 178.9 6.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.937 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 89.4 p -98.2 -39.81 8.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.901 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 27' ' ' SER . 82.7 m -71.04 -53.1 15.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.922 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 26' ' ' CYS . 1.5 t -35.48 -50.73 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.9 tp -51.82 -51.72 54.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -47.16 -49.22 22.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.8 ttpt -53.69 -27.4 27.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.546 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 11.7 t60 -90.41 -38.08 13.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.2 mt -53.2 -37.24 61.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.944 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.67 -32.5 29.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 63.4 m -54.88 -14.28 1.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.445 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 53.9 m-70 -108.3 -28.65 9.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.967 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.151 0 CA-C-O 120.813 0.255 . . . . 0.0 112.353 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.546 ' CZ ' ' HB2' ' A' ' 25' ' ' SER . 30.5 m-85 -107.39 149.24 28.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -150.79 154.34 37.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.855 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.404 ' N ' ' O ' ' A' ' 20' ' ' MET . 2.1 t -88.54 112.16 22.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -73.09 0.86 10.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.442 ' HB2' ' NE2' ' A' ' 35' ' ' HIS . 2.6 mm-40 -93.76 -54.0 3.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -119.47 -21.63 7.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.23 4.3 38.22 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.472 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 17.4 mmm -57.8 130.0 44.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.848 0.356 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -95.94 148.78 22.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.472 ' CE1' ' HB3' ' A' ' 20' ' ' MET . 69.8 m-85 -142.55 135.48 28.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 88.8 p -64.37 -51.33 63.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -81.42 165.79 20.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.546 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 31.7 t -81.45 -57.52 3.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 27' ' ' SER . 26.3 p -59.6 -47.38 85.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 26' ' ' CYS . 24.6 m -34.76 -51.33 0.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.823 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.3 tp -52.25 -53.57 42.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -44.88 -46.99 11.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.2 ttmt -53.83 -32.03 51.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -87.29 -39.38 15.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.9 mt -48.18 -41.89 28.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.414 ' C ' ' HD3' ' A' ' 33' ' ' ARG . 1.0 OUTLIER -49.44 -34.57 16.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.7 t -48.32 -19.43 0.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.442 ' NE2' ' HB2' ' A' ' 17' ' ' GLU . 80.4 m-70 -102.72 -28.93 11.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -179.94 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.814 0.256 . . . . 0.0 112.354 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.414 ' CD1' ' O ' ' A' ' 24' ' ' TRP . 86.6 m-85 -104.87 157.39 17.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -153.39 158.34 41.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 20' ' ' MET . 4.7 t -88.79 128.63 35.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -87.92 7.24 31.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.563 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 28.9 mm-40 -102.91 -55.32 2.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.3 p -116.71 -21.8 8.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.12 0.78 35.74 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.462 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.562 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 26.9 mmm -53.09 130.87 35.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.751 0.31 . . . . 0.0 110.859 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -99.67 149.82 22.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.443 ' CE1' ' HB3' ' A' ' 20' ' ' MET . 54.0 m-85 -142.43 140.98 32.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.475 ' C ' ' CG ' ' A' ' 24' ' ' TRP . 58.5 m -85.95 34.58 0.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.475 ' CG ' ' C ' ' A' ' 23' ' ' SER . 2.2 m95 -158.52 178.85 9.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.5 t -105.97 -36.5 6.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.863 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 22.1 p -81.14 -47.01 14.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.9 m -43.07 -60.27 1.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.1 tp -42.29 -46.18 4.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -50.16 -44.65 52.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.4 ttmm -59.1 -24.97 63.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.562 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 14.2 t60 -93.23 -34.86 13.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.5 mt -56.42 -35.32 67.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -52.73 -20.05 2.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.76 -1.64 14.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.563 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 54.8 m-70 -127.43 -23.91 3.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.466 -0.128 0 CA-C-O 120.814 0.256 . . . . 0.0 112.325 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 25' ' ' SER . 78.4 m-85 -109.04 151.37 26.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -145.41 153.45 41.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.9 t -84.64 125.14 32.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.19 5.64 33.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.907 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.421 ' HB2' ' NE2' ' A' ' 35' ' ' HIS . 4.2 mm-40 -99.74 -53.05 3.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.949 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.0 p -119.88 -23.52 6.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.5 -12.25 25.74 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.483 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.566 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 22.4 mmm -43.92 128.81 5.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.793 0.33 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.413 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 14.8 p30 -97.49 159.0 15.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.413 ' CD1' ' C ' ' A' ' 21' ' ' ASN . 88.3 m-85 -152.72 141.47 21.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.563 ' C ' ' CD1' ' A' ' 24' ' ' TRP . 1.3 t -86.44 29.68 0.76 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.814 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.563 ' CD1' ' C ' ' A' ' 23' ' ' SER . 1.7 m95 -163.52 145.35 9.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 71.7 p -68.31 -36.31 79.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.865 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 27' ' ' SER . 60.9 m -75.88 -55.01 6.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.836 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 26' ' ' CYS . 16.3 m -37.1 -55.01 0.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.724 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.4 tp -51.68 -47.73 63.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -48.97 -51.16 32.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.4 ttmm -52.42 -21.61 3.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.566 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 16.7 t60 -95.96 -43.27 7.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.87 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.3 mt -47.06 -33.98 5.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.469 ' HD3' ' N ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -51.71 -35.71 44.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.469 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 23.2 m -50.38 -17.98 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.421 ' NE2' ' HB2' ' A' ' 17' ' ' GLU . 55.6 m-70 -106.26 -27.56 10.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.959 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.466 -0.146 0 CA-C-O 120.864 0.277 . . . . 0.0 112.349 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.48 ' CD2' ' O ' ' A' ' 24' ' ' TRP . 76.5 m-85 -100.09 143.23 30.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -144.22 163.73 32.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.5 t -93.94 128.18 40.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.7 mmmt -87.52 7.62 28.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.555 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 31.2 mm-40 -103.18 -55.4 2.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.9 p -116.33 -22.68 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.926 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.98 8.42 36.52 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.521 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.463 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 13.6 mmm -61.65 130.43 45.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.795 0.331 . . . . 0.0 110.895 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.8 p30 -97.23 150.21 21.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.463 ' CE1' ' HB3' ' A' ' 20' ' ' MET . 28.1 m-85 -142.05 141.06 32.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.453 ' C ' ' CG ' ' A' ' 24' ' ' TRP . 4.3 t -85.32 33.63 0.56 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.871 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.48 ' O ' ' CD2' ' A' ' 13' ' ' PHE . 8.2 m95 -158.23 -177.22 6.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.946 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.0 p -107.06 -54.81 2.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 29' ' ' PHE . 72.8 m -63.82 -58.16 7.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.837 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 26' ' ' CYS . 26.8 m -34.29 -59.72 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.419 HD13 ' CD1' ' A' ' 22' ' ' PHE . 16.3 tp -42.57 -44.05 4.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 26' ' ' CYS . 12.3 t80 -53.66 -39.47 65.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt -61.26 -29.63 69.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -88.14 -40.79 13.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.6 mt -52.64 -39.55 61.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.8 ppt_? -52.19 -31.65 32.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.7 t -52.64 -18.32 1.72 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.555 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 63.6 m-70 -104.53 -28.44 11.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 -179.919 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.148 0 CA-C-O 120.843 0.268 . . . . 0.0 112.346 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.577 ' CZ ' ' HB3' ' A' ' 25' ' ' SER . 31.3 m-85 -103.52 144.31 31.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -145.25 156.04 43.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.8 t -86.07 143.31 28.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -99.62 -1.76 37.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.573 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 38.8 mm-40 -94.71 -57.01 2.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.9 p -113.85 -24.25 9.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.4 8.54 35.3 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.494 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.516 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 10.3 mmm -62.57 130.36 44.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.783 0.325 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.506 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 27.2 p30 -97.87 152.93 18.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.516 ' CE1' ' HB3' ' A' ' 20' ' ' MET . 12.9 m-85 -145.75 125.33 13.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.852 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.4 m -50.71 -48.76 58.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.5 m95 -79.32 170.47 16.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 82.5 p -88.56 -60.49 1.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 27' ' ' SER . 73.9 m -58.25 -46.82 85.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 26' ' ' CYS . 87.6 p -36.11 -45.2 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.5 tp -60.96 -49.76 76.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.964 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' A' ' 26' ' ' CYS . 4.2 t80 -49.54 -41.15 40.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.1 ttmt -60.33 -29.58 68.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -86.42 -42.67 13.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.432 HD23 ' HG2' ' A' ' 17' ' ' GLU . 11.8 mt -47.03 -38.04 10.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.413 ' C ' ' HD3' ' A' ' 33' ' ' ARG . 0.6 OUTLIER -54.57 -35.44 63.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.2 m -48.6 -21.23 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.573 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 51.9 m-70 -100.79 -27.84 13.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.892 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.408 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.195 0 CA-C-O 120.803 0.251 . . . . 0.0 112.343 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.568 ' CD2' ' O ' ' A' ' 24' ' ' TRP . 31.8 m-85 -103.51 151.01 23.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.847 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -152.58 160.8 43.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 20' ' ' MET . 1.8 t -93.19 112.56 24.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.8 mmmt -71.72 1.07 7.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.417 ' HB2' ' NE2' ' A' ' 35' ' ' HIS . 7.9 mm-40 -94.82 -52.93 4.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.3 p -119.23 -22.55 7.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 105.55 5.65 39.2 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.502 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.456 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 19.8 mmm -58.39 131.98 52.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.792 0.33 . . . . 0.0 110.855 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.8 p30 -95.6 147.22 23.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.456 ' CE1' ' HB3' ' A' ' 20' ' ' MET . 62.8 m-85 -140.81 123.37 16.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.7 m -55.63 -44.63 77.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.568 ' O ' ' CD2' ' A' ' 13' ' ' PHE . 3.9 m95 -81.91 -175.23 5.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.944 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.477 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 52.5 p -107.47 -39.44 5.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.867 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 29' ' ' PHE . 88.5 m -77.54 -51.98 9.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 26' ' ' CYS . 4.0 t -35.13 -43.06 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.404 HD13 ' CD1' ' A' ' 22' ' ' PHE . 16.2 tp -55.02 -48.11 73.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.892 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.448 ' N ' ' O ' ' A' ' 26' ' ' CYS . 17.6 t80 -50.69 -44.83 57.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.4 ttmt -56.78 -27.06 59.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -90.9 -40.65 11.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.7 mt -49.88 -37.03 29.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.409 ' C ' ' HD3' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -50.95 -32.79 22.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 63.6 p -51.41 -20.23 1.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.417 ' NE2' ' HB2' ' A' ' 17' ' ' GLU . 69.6 m-70 -103.11 -28.81 11.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.853 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.905 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.842 0.267 . . . . 0.0 112.369 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 25' ' ' SER . 79.4 m-85 -111.92 139.31 47.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -135.66 153.96 51.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.426 ' N ' ' O ' ' A' ' 20' ' ' MET . 12.5 t -84.0 135.55 34.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.02 6.44 47.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.473 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 15.2 mm-40 -102.96 -54.26 2.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -118.78 -22.54 7.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.822 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.33 -6.48 30.28 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.548 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 29.7 mmm -48.81 129.03 16.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.756 0.312 . . . . 0.0 110.887 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.41 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 46.1 m-80 -105.77 150.12 25.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.41 ' CD1' ' C ' ' A' ' 21' ' ' ASN . 9.8 m-85 -139.11 149.45 44.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.439 ' OG ' ' CD1' ' A' ' 24' ' ' TRP . 50.3 p -79.3 -26.47 42.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.439 ' CD1' ' OG ' ' A' ' 23' ' ' SER . 1.2 m95 -107.65 132.99 52.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.913 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 94.9 p -53.72 -53.65 49.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.872 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 27' ' ' SER . 61.7 m -57.51 -53.51 57.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 26' ' ' CYS . 2.7 m -35.0 -63.84 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.7 tp -40.41 -49.51 2.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -49.2 -49.97 40.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.2 ttmm -54.05 -22.36 10.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.548 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 12.3 t60 -94.73 -40.78 9.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.5 mt -51.74 -31.18 25.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.432 ' HD2' ' N ' ' A' ' 34' ' ' SER . 3.9 ppt_? -55.5 -39.63 70.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.432 ' N ' ' HD2' ' A' ' 33' ' ' ARG . 7.3 m -47.23 -20.17 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.473 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 63.9 m-70 -101.11 -29.69 12.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.958 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo . . . . . 0 N--CA 1.465 -0.166 0 CA-C-O 120.843 0.268 . . . . 0.0 112.382 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.539 ' CZ ' ' HB2' ' A' ' 25' ' ' SER . 82.0 m-85 -113.62 155.23 25.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -149.51 159.82 43.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.423 ' N ' ' O ' ' A' ' 20' ' ' MET . 7.0 t -87.07 138.2 31.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.4 mmtp -97.05 5.18 50.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.548 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 23.4 mm-40 -101.69 -54.2 2.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -117.12 -22.94 8.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.64 6.18 35.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.492 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.548 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 26.5 mmm -56.97 130.01 44.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.76 0.314 . . . . 0.0 110.853 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.1 p30 -98.09 146.55 25.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.437 ' CE1' ' HB3' ' A' ' 20' ' ' MET . 48.2 m-85 -138.25 142.32 39.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.1 m -69.78 -46.6 65.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.6 m95 -82.7 -176.6 6.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.539 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 34.7 t -104.34 -36.73 7.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 27' ' ' SER . 79.1 m -78.02 -53.78 7.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 26' ' ' CYS . 3.4 t -34.74 -45.6 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.748 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.418 HD13 ' CD1' ' A' ' 22' ' ' PHE . 17.1 tp -51.86 -50.3 61.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.926 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.405 ' N ' ' O ' ' A' ' 26' ' ' CYS . 16.7 t80 -48.75 -45.43 39.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.0 ttmm -54.29 -28.52 42.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.548 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 10.4 t60 -91.53 -42.09 10.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.4 mt -50.71 -38.61 48.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.2 ppt_? -51.7 -32.09 28.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.9 t -53.43 -18.61 2.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.808 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.548 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 66.7 m-70 -104.58 -28.18 11.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.823 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 -179.922 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.161 0 CA-C-O 120.869 0.279 . . . . 0.0 112.345 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.433 ' CZ ' ' HB2' ' A' ' 25' ' ' SER . 69.9 m-85 -110.1 151.03 27.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.81 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -145.13 163.0 35.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.478 ' N ' ' O ' ' A' ' 20' ' ' MET . 4.0 t -92.88 114.62 27.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.0 mmtm -75.15 1.88 12.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.433 ' HB2' ' NE2' ' A' ' 35' ' ' HIS . 46.7 mm-40 -94.99 -51.24 4.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -123.93 -20.5 5.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.98 -0.76 33.64 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.478 ' O ' ' N ' ' A' ' 15' ' ' CYS . 16.8 mmm -51.95 131.13 31.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 0.0 110.855 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -96.99 149.32 22.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.452 ' CE1' ' HB3' ' A' ' 20' ' ' MET . 79.4 m-85 -143.43 126.15 16.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 78.1 p -56.39 -49.63 73.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -83.55 169.23 15.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.433 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 35.4 t -85.15 -60.95 1.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 27' ' ' SER . 93.2 m -54.53 -48.76 71.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 26' ' ' CYS . 73.9 m -34.64 -55.0 0.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.826 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.6 tp -47.06 -50.57 19.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -48.88 -47.24 43.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -54.01 -27.27 30.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -91.87 -39.42 11.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.5 mt -49.8 -39.24 37.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.2 ppt_? -52.03 -32.78 35.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.5 t -54.46 -14.64 1.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.433 ' NE2' ' HB2' ' A' ' 17' ' ' GLU . 90.5 m-70 -103.32 -31.19 10.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.94 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.174 0 CA-C-O 120.791 0.246 . . . . 0.0 112.36 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.563 ' CZ ' ' HB2' ' A' ' 25' ' ' SER . 41.1 m-85 -97.29 142.09 29.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -142.11 153.36 44.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.928 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.41 ' N ' ' O ' ' A' ' 20' ' ' MET . 12.1 t -81.62 132.42 35.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.88 7.41 42.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.483 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 3.7 mm-40 -103.83 -49.39 3.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -124.26 -22.5 4.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.74 -7.62 29.77 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.454 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.566 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 33.1 mmm -47.76 129.6 14.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.805 0.336 . . . . 0.0 110.867 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.512 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 15.6 p30 -99.27 160.82 14.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.512 ' CD1' ' C ' ' A' ' 21' ' ' ASN . 59.0 m-85 -154.43 114.45 3.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.1 t -43.85 -38.19 3.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 3.0 m95 -91.43 169.0 11.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 43.0 t -89.44 -51.62 5.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 27' ' ' SER . 86.1 m -62.25 -50.93 69.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 26' ' ' CYS . 15.1 m -36.25 -55.86 0.78 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.735 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 tp -50.06 -49.15 52.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.897 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -47.48 -51.01 21.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.3 ttmm -53.79 -25.6 19.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.566 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 15.5 t60 -90.33 -39.07 12.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.407 HD23 ' HG2' ' A' ' 17' ' ' GLU . 9.4 mt -53.08 -39.58 63.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.46 ' HD2' ' N ' ' A' ' 34' ' ' SER . 8.3 ppt_? -50.53 -37.85 41.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.46 ' N ' ' HD2' ' A' ' 33' ' ' ARG . 52.9 p -44.18 -22.51 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.483 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 35.4 m-70 -101.82 -29.03 12.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 33' ' ' ARG . 4.8 pt-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.799 0.25 . . . . 0.0 112.376 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -108.33 144.71 35.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -140.25 157.82 44.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.1 t -86.62 133.89 33.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -94.6 6.96 47.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.416 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 2.8 mm-40 -103.09 -48.38 4.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.7 p -122.65 -22.7 5.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.09 7.23 38.46 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.504 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.454 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 14.3 mmm -58.47 129.63 42.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.798 0.333 . . . . 0.0 110.881 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -95.08 143.2 26.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.453 ' CE1' ' HB3' ' A' ' 20' ' ' MET . 76.9 m-85 -136.74 145.58 44.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 45.3 t -75.6 -51.26 13.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -82.95 170.91 14.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.0 t -85.84 -55.86 3.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 26.2 p -61.39 -37.28 82.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.913 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.7 m -45.77 -50.44 13.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.3 tp -53.15 -52.5 58.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -46.36 -45.51 17.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.8 ttpp -54.42 -30.15 51.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.454 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 14.7 t60 -89.6 -42.5 11.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.832 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.9 mt -48.28 -38.85 19.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.946 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.412 ' C ' ' HD3' ' A' ' 33' ' ' ARG . 0.6 OUTLIER -51.84 -32.36 31.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 67.4 m -54.95 -14.29 1.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.416 ' CE1' ' HB2' ' A' ' 17' ' ' GLU . 78.5 m-70 -106.05 -29.73 9.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 -179.878 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.543 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.169 0 CA-C-O 120.777 0.24 . . . . 0.0 112.339 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.577 ' CZ ' ' HB3' ' A' ' 25' ' ' SER . 42.8 m-85 -98.88 148.42 23.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -147.74 155.67 41.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.0 t -88.59 121.71 31.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.8 mmmm -82.22 7.23 14.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.435 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 2.6 mm-40 -102.03 -54.55 2.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.87 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.9 p -116.43 -23.17 8.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.67 3.42 37.23 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.46 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.56 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 32.3 mmm -54.73 129.56 37.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.85 0.357 . . . . 0.0 110.845 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.442 ' C ' ' OD1' ' A' ' 21' ' ' ASN . 12.7 p30 -94.15 152.63 18.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.542 ' CE1' ' HB3' ' A' ' 20' ' ' MET . 62.7 m-85 -148.97 137.62 21.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 92.2 p -71.91 -49.76 35.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.561 ' O ' ' CD2' ' A' ' 13' ' ' PHE . 2.1 m95 -77.46 -179.88 6.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 77.6 p -97.7 -58.9 1.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.886 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 27' ' ' SER . 73.3 m -58.05 -46.59 85.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 26' ' ' CYS . 68.1 m -37.45 -55.16 1.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.432 HD13 ' CD1' ' A' ' 22' ' ' PHE . 15.2 tp -49.03 -51.48 30.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.909 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -48.27 -46.04 35.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.901 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -55.11 -26.84 40.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.56 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 12.5 t60 -91.81 -41.15 10.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.3 mt -52.22 -36.26 51.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.963 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.407 ' HD2' ' C ' ' A' ' 33' ' ' ARG . 6.7 ppt_? -53.14 -28.24 24.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.1 m -59.37 -13.34 8.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.435 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 71.9 m-70 -108.39 -27.84 9.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.838 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.857 -179.874 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.169 0 CA-C-O 120.763 0.234 . . . . 0.0 112.309 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.555 ' CZ ' ' HB2' ' A' ' 25' ' ' SER . 74.9 m-85 -91.62 155.77 18.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -147.74 157.46 43.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.916 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.418 ' N ' ' O ' ' A' ' 20' ' ' MET . 6.0 t -87.74 122.84 31.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -82.57 4.44 24.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.545 ' CG ' HD23 ' A' ' 32' ' ' LEU . 3.3 mm-40 -98.37 -58.51 1.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -115.36 -21.86 9.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.49 -10.82 28.31 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.501 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.536 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 14.3 mmm -43.81 130.65 5.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.769 0.319 . . . . 0.0 110.856 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.465 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 13.8 p30 -100.59 156.11 17.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.465 ' CD1' ' C ' ' A' ' 21' ' ' ASN . 35.1 m-85 -147.09 145.18 29.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.574 ' C ' ' CG ' ' A' ' 24' ' ' TRP . 10.7 t -86.4 34.23 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.574 ' CG ' ' C ' ' A' ' 23' ' ' SER . 1.0 OUTLIER -163.92 174.97 10.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.929 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.555 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 31.3 t -96.23 -38.66 10.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 27' ' ' SER . 60.9 m -76.34 -55.05 5.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 26' ' ' CYS . 62.5 m -35.59 -56.59 0.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.1 tp -48.49 -49.68 34.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.929 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -48.75 -51.21 30.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.1 ttpp -52.59 -22.96 5.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.536 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 11.5 t60 -94.54 -40.73 9.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.545 HD23 ' CG ' ' A' ' 17' ' ' GLU . 7.1 mt -52.3 -33.7 43.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.464 ' HD3' ' N ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -52.33 -38.39 58.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.464 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 14.9 m -47.38 -19.96 0.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 -179.782 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.466 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 57.8 m-70 -101.81 -29.96 11.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.954 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.175 0 CA-C-O 120.768 0.237 . . . . 0.0 112.288 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.459 ' CZ ' ' OG ' ' A' ' 25' ' ' SER . 93.6 m-85 -92.53 153.46 19.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -149.22 158.9 44.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.453 ' N ' ' O ' ' A' ' 20' ' ' MET . 2.2 t -91.66 113.28 25.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.4 mmmm -74.03 1.16 11.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.431 ' HB2' ' NE2' ' A' ' 35' ' ' HIS . 3.6 mm-40 -94.09 -53.52 3.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -119.96 -21.86 6.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.53 1.78 35.01 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.565 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 28.8 mmm -55.0 129.71 38.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.743 0.306 . . . . 0.0 110.877 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -96.08 150.51 20.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.438 ' CE1' ' HB3' ' A' ' 20' ' ' MET . 80.7 m-85 -144.43 134.19 23.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 t -65.38 -49.17 70.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.7 m95 -77.37 -179.06 5.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.459 ' OG ' ' CZ ' ' A' ' 13' ' ' PHE . 7.7 m -97.92 -58.76 1.91 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 27' ' ' SER . 26.3 p -62.31 -45.54 92.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 26' ' ' CYS . 55.8 m -35.26 -48.54 0.46 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.716 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.5 tp -52.6 -50.92 62.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -47.02 -46.9 22.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -53.97 -29.19 41.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.942 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.565 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 14.5 t60 -90.04 -40.07 12.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.1 mt -49.27 -40.74 35.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.445 ' HD2' ' N ' ' A' ' 34' ' ' SER . 4.6 ppt_? -48.85 -37.56 19.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.445 ' N ' ' HD2' ' A' ' 33' ' ' ARG . 59.8 p -44.88 -22.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.431 ' NE2' ' HB2' ' A' ' 17' ' ' GLU . 71.2 m-70 -99.63 -29.54 12.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 33' ' ' ARG . 6.8 pt-20 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.232 0.197 0 CA-C-O 120.837 0.265 . . . . 0.0 112.322 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 25' ' ' SER . 50.0 m-85 -117.05 154.04 31.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -143.15 153.72 43.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 19' ' ' GLY . 2.0 t -89.64 113.08 24.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.8 mmmt -71.84 1.49 6.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.929 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.429 ' HB2' ' NE2' ' A' ' 35' ' ' HIS . 33.5 mm-40 -95.49 -48.53 5.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.5 p -124.8 -22.26 4.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.834 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 105.11 6.8 39.08 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.465 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 22.4 mmm -59.57 131.43 50.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.804 0.335 . . . . 0.0 110.883 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -97.99 144.58 27.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.465 ' CE1' ' HB3' ' A' ' 20' ' ' MET . 71.5 m-85 -138.3 137.02 37.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.8 p -68.64 -41.74 78.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -88.91 159.77 17.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.969 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 20.2 p -76.64 -56.11 4.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.876 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 27' ' ' SER . 90.2 m -62.36 -46.56 88.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 26' ' ' CYS . 12.2 m -34.91 -50.05 0.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.803 -179.726 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.9 tp -54.04 -52.48 60.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -46.94 -46.79 21.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.9 ttmt -54.77 -28.54 49.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 -90.14 -40.16 12.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.8 mt -48.01 -40.27 22.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.961 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.427 ' HD3' ' N ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -50.18 -34.9 24.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 179.899 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.427 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 91.5 p -49.4 -19.11 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.751 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.429 ' NE2' ' HB2' ' A' ' 17' ' ' GLU . 82.7 m-70 -102.06 -29.78 11.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.922 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.8 p -67.64 89.2 0.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.884 0.373 . . . . 0.0 110.837 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.9 m -119.84 90.14 3.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.864 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.33 106.68 0.2 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.513 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.0 m -112.37 101.44 9.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.824 0.345 . . . . 0.0 110.825 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.4 m -90.64 111.5 22.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.83 166.69 25.31 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.505 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 58.8 p -123.53 132.74 53.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.854 0.359 . . . . 0.0 111.126 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -155.58 93.39 0.13 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.492 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.3 pm0 -96.22 166.96 11.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.925 0.393 . . . . 0.0 110.91 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.6 mmmm -143.16 137.57 14.92 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.561 0.696 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 -50.84 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.706 2.27 . . . . 0.0 112.352 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.579 ' CZ ' ' HB3' ' A' ' 25' ' ' SER . 47.6 m-85 -95.83 151.64 19.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -150.2 155.27 39.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.422 ' N ' ' O ' ' A' ' 20' ' ' MET . 7.4 t -84.96 136.69 33.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -95.8 7.25 46.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.507 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 21.2 mm-40 -103.66 -50.91 3.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.2 p -121.64 -21.95 6.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.81 2.7 36.88 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.521 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.436 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 20.0 mmm -55.83 131.64 47.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.809 0.337 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -98.63 154.14 18.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.436 ' CE1' ' HB3' ' A' ' 20' ' ' MET . 62.0 m-85 -147.14 126.89 13.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 35.7 m -53.99 -55.68 24.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.823 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.2 m95 -74.78 177.14 6.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 75.3 p -93.79 -59.24 2.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.443 ' O ' ' C ' ' A' ' 27' ' ' SER . 25.7 p -56.09 -48.13 76.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 26' ' ' CYS . 69.8 m -34.71 -58.69 0.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.822 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.8 tp -42.43 -51.1 5.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.934 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -49.69 -47.66 50.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.0 ttmt -53.43 -26.56 20.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.934 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -92.73 -38.21 11.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.2 mt -50.34 -39.93 47.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.462 ' HD3' ' N ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -50.17 -36.24 29.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.462 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 33.3 t -47.48 -21.18 0.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.507 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 69.0 m-70 -102.19 -28.51 12.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -69.74 -33.37 72.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.5 tpp180 -90.03 -61.94 1.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 87.8 m -105.73 142.18 35.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -88.57 143.6 32.33 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.554 0.692 . . . . 0.0 110.88 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -4.93 15.02 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.723 2.282 . . . . 0.0 112.343 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 t 72.9 38.09 0.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.872 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 118.67 177.46 16.77 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.497 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 92.33 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.741 2.294 . . . . 0.0 112.359 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.0 m -63.23 -46.05 88.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.856 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 46' ' ' GLY . 6.4 t -106.02 127.4 53.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.888 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 45' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.496 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.0 m -95.38 151.5 19.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.892 0.377 . . . . 0.0 110.844 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.0 m -93.7 162.52 13.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.843 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.89 145.27 13.84 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.506 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 t 61.3 41.46 13.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.847 0.356 . . . . 0.0 110.882 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.9 p -80.55 143.96 32.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.826 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.81 -109.89 0.22 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.501 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 67.5 p -48.0 130.9 15.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.86 0.362 . . . . 0.0 111.15 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.34 -108.24 3.18 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.482 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -84.37 158.68 21.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.86 0.362 . . . . 0.0 110.916 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -141.97 141.36 21.66 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.604 0.716 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -50.37 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.722 2.281 . . . . 0.0 112.297 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -92.45 148.91 21.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -149.37 157.39 43.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 20' ' ' MET . 3.1 t -91.35 126.06 36.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.1 8.15 21.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.463 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 29.2 mm-40 -103.54 -52.12 3.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.7 p -119.36 -22.55 7.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.09 4.49 38.55 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.488 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.445 ' O ' ' N ' ' A' ' 15' ' ' CYS . 25.2 mmm -57.72 132.77 54.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.341 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -99.07 152.29 20.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.428 ' CE1' ' HB3' ' A' ' 20' ' ' MET . 58.6 m-85 -145.19 133.93 22.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.0 p -67.17 -47.04 72.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.7 m95 -78.65 -179.67 6.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.9 m -96.66 -58.06 2.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.454 ' O ' ' C ' ' A' ' 27' ' ' SER . 81.2 m -62.2 -46.85 87.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 26' ' ' CYS . 71.2 m -34.43 -50.78 0.44 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.822 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.8 tp -53.14 -52.13 59.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -47.83 -44.9 29.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.9 ttmm -55.69 -29.09 58.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.406 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 12.6 t60 -89.84 -41.0 12.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.8 mt -49.37 -39.18 31.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.466 ' HD3' ' N ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -50.07 -37.61 34.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.92 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.466 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 36.5 t -47.43 -21.11 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.463 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 77.1 m-70 -101.97 -28.72 12.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -68.78 -36.38 78.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.403 ' HD2' ' C ' ' A' ' 37' ' ' ARG . 1.3 ppt_? -49.01 -36.28 17.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.845 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 46.6 m -43.96 133.11 5.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.436 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 21.0 t70 -94.01 140.73 23.01 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.617 0.723 . . . . 0.0 110.878 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.436 ' HD2' ' CG ' ' A' ' 39' ' ' ASP . 53.8 Cg_endo -69.76 87.63 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.673 2.248 . . . . 0.0 112.372 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.3 p -169.27 135.68 1.68 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.76 156.08 52.72 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.495 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 119.75 6.65 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.674 2.249 . . . . 0.0 112.354 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.5 p -114.8 166.37 11.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.8 t -114.54 138.19 50.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 CA-C-O 119.114 -0.825 . . . . 0.0 112.504 -180.0 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.2 t -106.92 107.27 18.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.895 0.379 . . . . 0.0 110.839 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.6 p -60.91 102.96 0.22 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.65 131.48 26.83 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.438 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 6' ' ' SER . 11.9 t -48.04 -50.07 29.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.886 0.374 . . . . 0.0 110.875 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 5' ' ' SER . 7.0 t 36.7 42.6 0.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.48 -167.29 36.95 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.53 HG23 ' O ' ' A' ' 8' ' ' THR . 10.6 t -127.48 39.44 3.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.811 0.338 . . . . 0.0 111.131 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.6 85.82 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.48 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -60.27 169.69 1.55 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.936 0.398 . . . . 0.0 110.844 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.3 mmmt -145.41 134.92 11.44 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.592 0.71 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -50.14 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.605 2.203 . . . . 0.0 112.381 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -100.61 152.64 20.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -152.0 157.5 41.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.426 ' N ' ' O ' ' A' ' 20' ' ' MET . 4.5 t -87.58 126.35 34.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -86.6 7.11 27.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.541 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 20.9 mm-40 -101.98 -56.07 2.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.6 p -116.31 -22.2 8.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.23 0.43 33.34 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.453 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.518 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 28.7 mmm -53.56 129.36 32.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.773 0.32 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 15.3 p30 -97.66 151.73 19.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.467 ' CE1' ' HB3' ' A' ' 20' ' ' MET . 42.3 m-85 -144.67 145.04 31.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.845 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.8 t -72.32 -54.83 8.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -73.68 -178.28 3.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 88.5 p -99.54 -49.46 4.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.829 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.423 ' O ' ' C ' ' A' ' 27' ' ' SER . 25.2 p -67.54 -46.5 72.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 26' ' ' CYS . 58.1 m -36.73 -52.09 0.89 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.2 tp -50.22 -49.79 51.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -47.81 -47.22 31.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.5 ttpp -54.03 -29.12 42.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.518 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 17.0 t60 -89.87 -37.51 14.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.7 mt -54.95 -39.48 68.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.41 ' C ' ' HD2' ' A' ' 33' ' ' ARG . 2.5 ppt_? -51.82 -31.07 25.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.1 t -55.45 -13.95 1.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.541 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 87.2 m-70 -105.7 -29.96 9.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.835 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -71.04 -26.4 63.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -93.84 -61.15 1.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.843 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 95.4 m -113.85 146.17 40.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.174 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -112.87 155.4 44.15 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.593 0.711 . . . . 0.0 110.842 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 132.92 24.25 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.717 2.278 . . . . 0.0 112.284 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.6 t -72.79 119.76 17.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -125.87 169.44 17.81 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.467 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 113.35 3.34 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.67 2.247 . . . . 0.0 112.362 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 65.8 p -65.17 -52.88 52.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 80.4 p -68.11 132.73 47.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.181 -0.789 . . . . 0.0 112.437 -179.952 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.7 p 40.15 42.15 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.841 0.353 . . . . 0.0 110.836 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.9 p -174.89 166.67 3.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.1 45.05 12.12 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.49 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.8 t -49.44 113.46 0.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.89 0.376 . . . . 0.0 110.885 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.4 p -100.17 144.98 28.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.83 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 8' ' ' THR . . . -137.04 104.1 0.46 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.488 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 7' ' ' GLY . 7.6 t -37.28 141.28 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.829 0.347 . . . . 0.0 111.104 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 60.51 -136.48 49.21 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.457 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 58.6 tt0 -137.03 163.96 29.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.896 0.379 . . . . 0.0 110.874 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -108.3 135.29 19.97 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.593 0.711 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -43.26 2.8 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.682 2.255 . . . . 0.0 112.343 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.448 ' CZ ' ' HB3' ' A' ' 25' ' ' SER . 84.0 m-85 -107.59 150.2 27.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -148.34 153.59 38.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.0 t -82.21 140.54 33.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.889 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -98.72 1.32 45.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.543 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 3.2 mm-40 -97.5 -56.03 2.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.7 p -115.34 -24.2 8.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.44 -8.56 28.47 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.484 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.537 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 29.2 mmm -45.52 129.93 8.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.789 0.328 . . . . 0.0 110.876 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.499 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 15.5 p30 -101.14 156.82 17.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.499 ' CD1' ' C ' ' A' ' 21' ' ' ASN . 24.1 m-85 -147.28 147.31 30.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.564 ' C ' ' CG ' ' A' ' 24' ' ' TRP . 13.9 m -89.54 33.06 0.84 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.844 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.564 ' CG ' ' C ' ' A' ' 23' ' ' SER . 1.6 m95 -163.46 164.47 24.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.448 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 34.4 p -85.28 -39.27 17.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.848 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 26.0 p -76.61 -48.13 20.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 52.6 m -41.37 -57.15 2.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.5 tp -49.81 -50.71 44.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -48.31 -52.57 20.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -50.52 -23.34 2.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.537 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 9.6 t60 -95.63 -39.41 9.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.6 mt -51.91 -36.37 48.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -50.7 -42.52 57.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.454 ' N ' ' HD2' ' A' ' 33' ' ' ARG . 42.3 p -41.96 -24.8 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.82 -179.757 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.543 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 69.3 m-70 -97.35 -29.72 13.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.835 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 33' ' ' ARG . 4.1 pt-20 -69.29 -29.87 67.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -106.05 136.05 46.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 57.1 m -158.15 122.53 4.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.168 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.59 143.92 68.7 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.626 0.727 . . . . 0.0 110.848 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 2.83 3.19 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.63 2.22 . . . . 0.0 112.371 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.7 t -140.4 162.68 34.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 172.37 -177.9 44.77 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 86.72 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.686 2.257 . . . . 0.0 112.382 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 55.7 m -59.04 103.35 0.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.2 t -108.09 -62.71 1.41 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.506 -179.979 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 t -113.76 107.43 15.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.884 0.373 . . . . 0.0 110.852 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 m -163.21 143.15 8.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.93 128.83 3.06 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.494 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -168.66 161.62 11.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.862 0.363 . . . . 0.0 110.842 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t -89.26 87.42 7.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.863 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 50.29 -171.86 0.14 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.48 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.1 t -77.28 -19.56 56.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.867 0.365 . . . . 0.0 111.14 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.1 150.65 6.49 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.505 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -91.43 146.56 23.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.924 0.392 . . . . 0.0 110.903 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -128.0 141.89 42.66 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.54 0.685 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -50.82 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.666 2.244 . . . . 0.0 112.349 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 25' ' ' SER . 50.7 m-85 -101.98 146.66 27.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -145.0 152.48 40.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.8 t -81.79 125.54 30.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -84.88 5.25 29.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.445 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 3.4 mm-40 -99.76 -57.73 2.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -116.12 -22.54 8.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.69 -4.41 29.25 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.528 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.546 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 16.5 mmm -49.69 129.02 19.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.794 0.331 . . . . 0.0 110.896 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.485 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 29.2 p30 -95.26 157.75 15.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.485 ' CD1' ' C ' ' A' ' 21' ' ' ASN . 55.4 m-85 -151.35 120.48 6.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.5 t -49.98 -44.61 50.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -87.81 178.9 6.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.937 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 89.4 p -98.2 -39.81 8.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.901 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 27' ' ' SER . 82.7 m -71.04 -53.1 15.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.922 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 26' ' ' CYS . 1.5 t -35.48 -50.73 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.9 tp -51.82 -51.72 54.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -47.16 -49.22 22.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.8 ttpt -53.69 -27.4 27.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.546 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 11.7 t60 -90.41 -38.08 13.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.2 mt -53.2 -37.24 61.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.944 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.405 ' NH1' ' HD3' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -51.67 -32.5 29.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 63.4 m -54.88 -14.28 1.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.445 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 53.9 m-70 -108.3 -28.65 9.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -67.94 -22.69 65.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.405 ' HD3' ' NH1' ' A' ' 33' ' ' ARG . 7.1 ptt85 -102.84 147.04 27.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 55.0 m -146.49 139.8 25.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -99.22 141.6 23.14 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.614 0.721 . . . . 0.0 110.848 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 0.88 4.96 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.709 2.273 . . . . 0.0 112.361 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.0 m -67.14 106.21 1.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.47 158.5 34.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.483 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 133.41 25.46 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.663 2.242 . . . . 0.0 112.331 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.5 m -87.16 -46.87 9.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.3 t 54.53 41.4 31.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.828 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.127 -0.819 . . . . 0.0 112.467 -179.985 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -66.72 162.56 21.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.855 0.36 . . . . 0.0 110.878 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 t -107.71 91.79 3.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.82 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.2 -161.49 39.45 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.488 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.4 m -63.2 159.61 17.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.909 0.385 . . . . 0.0 110.838 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -126.21 139.47 53.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.851 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.65 87.31 0.63 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.451 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.3 p -111.55 39.9 2.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.848 0.356 . . . . 0.0 111.152 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -152.19 143.8 10.81 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.489 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -63.0 161.27 13.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.898 0.38 . . . . 0.0 110.871 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.0 mmtp -138.64 135.23 17.76 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.589 0.709 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -45.04 1.73 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.685 2.257 . . . . 0.0 112.353 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.546 ' CZ ' ' HB2' ' A' ' 25' ' ' SER . 30.5 m-85 -107.39 149.24 28.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -150.79 154.34 37.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.855 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.404 ' N ' ' O ' ' A' ' 20' ' ' MET . 2.1 t -88.54 112.16 22.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -73.09 0.86 10.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.442 ' HB2' ' NE2' ' A' ' 35' ' ' HIS . 2.6 mm-40 -93.76 -54.0 3.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -119.47 -21.63 7.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.23 4.3 38.22 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.472 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 17.4 mmm -57.8 130.0 44.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.848 0.356 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -95.94 148.78 22.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.472 ' CE1' ' HB3' ' A' ' 20' ' ' MET . 69.8 m-85 -142.55 135.48 28.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 88.8 p -64.37 -51.33 63.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -81.42 165.79 20.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.546 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 31.7 t -81.45 -57.52 3.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 27' ' ' SER . 26.3 p -59.6 -47.38 85.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 26' ' ' CYS . 24.6 m -34.76 -51.33 0.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.823 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.3 tp -52.25 -53.57 42.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -44.88 -46.99 11.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.2 ttmt -53.83 -32.03 51.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -87.29 -39.38 15.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.9 mt -48.18 -41.89 28.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.414 ' C ' ' HD3' ' A' ' 33' ' ' ARG . 1.0 OUTLIER -49.44 -34.57 16.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.7 t -48.32 -19.43 0.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.442 ' NE2' ' HB2' ' A' ' 17' ' ' GLU . 80.4 m-70 -102.72 -28.93 11.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -69.11 -32.25 71.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.9 tpt85 -68.26 -62.42 1.41 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.8 m -68.1 135.0 51.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.423 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 8.3 t70 -107.05 139.79 20.77 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.594 0.711 . . . . 0.0 110.863 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.423 ' HD2' ' CG ' ' A' ' 39' ' ' ASP . 54.0 Cg_endo -69.78 87.21 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.725 2.284 . . . . 0.0 112.373 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.9 m -160.04 146.3 15.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 77.39 -174.6 54.58 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.514 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 85.35 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.68 2.253 . . . . 0.0 112.361 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 t -42.71 102.28 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.1 p -44.12 -46.29 8.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.143 -0.809 . . . . 0.0 112.512 180.0 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.4 m -82.99 175.39 10.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.348 . . . . 0.0 110.896 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -161.63 113.02 1.72 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.64 96.94 2.29 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.478 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 m -87.3 46.88 1.42 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.857 0.361 . . . . 0.0 110.839 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.9 m -83.45 48.12 1.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.7 150.44 0.31 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.465 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.0 t -68.32 -19.94 64.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.805 0.336 . . . . 0.0 111.108 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -158.82 -142.63 3.44 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.48 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.4 ' C ' ' HG2' ' A' ' 11' ' ' LYS . 5.7 pt-20 -102.06 167.96 9.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.906 0.384 . . . . 0.0 110.906 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.4 ' HG2' ' C ' ' A' ' 10' ' ' GLU . 24.2 mmmt -150.81 135.13 9.52 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.55 0.691 . . . . 0.0 110.938 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -50.61 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.653 2.236 . . . . 0.0 112.354 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.414 ' CD1' ' O ' ' A' ' 24' ' ' TRP . 86.6 m-85 -104.87 157.39 17.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -153.39 158.34 41.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 20' ' ' MET . 4.7 t -88.79 128.63 35.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -87.92 7.24 31.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.563 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 28.9 mm-40 -102.91 -55.32 2.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.3 p -116.71 -21.8 8.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.12 0.78 35.74 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.462 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.562 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 26.9 mmm -53.09 130.87 35.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.751 0.31 . . . . 0.0 110.859 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -99.67 149.82 22.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.443 ' CE1' ' HB3' ' A' ' 20' ' ' MET . 54.0 m-85 -142.43 140.98 32.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.475 ' C ' ' CG ' ' A' ' 24' ' ' TRP . 58.5 m -85.95 34.58 0.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.475 ' CG ' ' C ' ' A' ' 23' ' ' SER . 2.2 m95 -158.52 178.85 9.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.5 t -105.97 -36.5 6.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.863 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 22.1 p -81.14 -47.01 14.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.9 m -43.07 -60.27 1.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.1 tp -42.29 -46.18 4.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -50.16 -44.65 52.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.4 ttmm -59.1 -24.97 63.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.562 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 14.2 t60 -93.23 -34.86 13.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.5 mt -56.42 -35.32 67.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -52.73 -20.05 2.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.76 -1.64 14.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.563 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 54.8 m-70 -127.43 -23.91 3.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.14 -48.2 21.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.458 ' HG3' ' N ' ' A' ' 38' ' ' THR . 0.4 OUTLIER -109.4 -35.73 6.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.458 ' N ' ' HG3' ' A' ' 37' ' ' ARG . 88.2 m -81.31 134.47 35.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -75.17 140.88 73.56 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.608 0.718 . . . . 0.0 110.858 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 176.84 6.25 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.699 2.266 . . . . 0.0 112.381 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.6 p -74.94 -45.57 41.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.844 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -167.06 -179.7 40.25 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.525 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 131.56 21.55 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.684 2.256 . . . . 0.0 112.321 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.6 m -129.67 41.87 3.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 68.0 m -108.52 122.36 46.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.108 -0.829 . . . . 0.0 112.504 -179.972 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t -105.14 87.93 2.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.845 0.355 . . . . 0.0 110.835 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.5 m -94.24 161.42 14.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.61 88.38 0.52 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.523 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.3 p -106.83 150.7 26.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.863 0.363 . . . . 0.0 110.847 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -115.09 97.82 6.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.852 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.72 162.84 12.99 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.451 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.7 p -48.64 139.02 9.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.814 0.34 . . . . 0.0 111.143 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -174.75 52.45 0.14 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.513 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -136.12 161.33 36.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.886 0.374 . . . . 0.0 110.849 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.415 ' HG3' ' CG ' ' A' ' 21' ' ' ASN . 40.5 mmtt -120.32 130.49 24.82 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.578 0.704 . . . . 0.0 110.926 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -45.84 1.44 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.693 2.262 . . . . 0.0 112.325 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 25' ' ' SER . 78.4 m-85 -109.04 151.37 26.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -145.41 153.45 41.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.9 t -84.64 125.14 32.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.19 5.64 33.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.907 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.421 ' HB2' ' NE2' ' A' ' 35' ' ' HIS . 4.2 mm-40 -99.74 -53.05 3.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.949 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.0 p -119.88 -23.52 6.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.5 -12.25 25.74 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.483 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.566 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 22.4 mmm -43.92 128.81 5.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.793 0.33 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.415 ' CG ' ' HG3' ' A' ' 11' ' ' LYS . 14.8 p30 -97.49 159.0 15.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.413 ' CD1' ' C ' ' A' ' 21' ' ' ASN . 88.3 m-85 -152.72 141.47 21.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.563 ' C ' ' CD1' ' A' ' 24' ' ' TRP . 1.3 t -86.44 29.68 0.76 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.814 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.563 ' CD1' ' C ' ' A' ' 23' ' ' SER . 1.7 m95 -163.52 145.35 9.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 71.7 p -68.31 -36.31 79.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.865 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 27' ' ' SER . 60.9 m -75.88 -55.01 6.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.836 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 26' ' ' CYS . 16.3 m -37.1 -55.01 0.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.724 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.4 tp -51.68 -47.73 63.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -48.97 -51.16 32.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.4 ttmm -52.42 -21.61 3.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.566 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 16.7 t60 -95.96 -43.27 7.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.87 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.3 mt -47.06 -33.98 5.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.469 ' HD3' ' N ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -51.71 -35.71 44.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.469 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 23.2 m -50.38 -17.98 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.421 ' NE2' ' HB2' ' A' ' 17' ' ' GLU . 55.6 m-70 -106.26 -27.56 10.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -66.79 -34.11 77.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.422 ' C ' ' HD2' ' A' ' 37' ' ' ARG . 5.4 ppt_? -78.95 -35.33 43.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.846 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 74.0 m -45.94 134.72 7.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.418 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 6.2 t70 -104.07 141.58 22.81 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.589 0.709 . . . . 0.0 110.878 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.418 ' HD2' ' CG ' ' A' ' 39' ' ' ASP . 53.8 Cg_endo -69.79 99.35 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.682 2.255 . . . . 0.0 112.374 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.5 p -137.09 161.53 35.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.83 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 150.37 174.44 21.52 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.478 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 144.39 53.9 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.666 2.244 . . . . 0.0 112.37 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.1 t -108.37 85.61 2.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 64.7 p -165.0 110.31 0.93 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.882 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.452 -179.967 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m 54.09 42.07 31.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.891 0.377 . . . . 0.0 110.884 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.4 p -97.77 134.91 40.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.27 48.66 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.475 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.3 p -83.46 152.37 25.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.866 0.365 . . . . 0.0 110.861 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.8 m -70.84 -45.4 64.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.27 78.56 0.96 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.449 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.3 t -70.9 -19.75 62.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.812 0.339 . . . . 0.0 111.13 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -144.6 177.05 23.4 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.465 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.402 ' H ' ' CD ' ' A' ' 10' ' ' GLU . 3.3 pm0 -86.27 172.94 10.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.891 0.377 . . . . 0.0 110.911 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -148.01 128.15 6.7 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.631 0.729 . . . . 0.0 110.845 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -49.13 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.651 2.234 . . . . 0.0 112.349 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.48 ' CD2' ' O ' ' A' ' 24' ' ' TRP . 76.5 m-85 -100.09 143.23 30.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -144.22 163.73 32.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.5 t -93.94 128.18 40.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.7 mmmt -87.52 7.62 28.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.555 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 31.2 mm-40 -103.18 -55.4 2.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.9 p -116.33 -22.68 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.926 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.98 8.42 36.52 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.521 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.463 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 13.6 mmm -61.65 130.43 45.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.795 0.331 . . . . 0.0 110.895 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.8 p30 -97.23 150.21 21.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.463 ' CE1' ' HB3' ' A' ' 20' ' ' MET . 28.1 m-85 -142.05 141.06 32.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.453 ' C ' ' CG ' ' A' ' 24' ' ' TRP . 4.3 t -85.32 33.63 0.56 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.871 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.48 ' O ' ' CD2' ' A' ' 13' ' ' PHE . 8.2 m95 -158.23 -177.22 6.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.946 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.0 p -107.06 -54.81 2.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 29' ' ' PHE . 72.8 m -63.82 -58.16 7.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.837 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 26' ' ' CYS . 26.8 m -34.29 -59.72 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.419 HD13 ' CD1' ' A' ' 22' ' ' PHE . 16.3 tp -42.57 -44.05 4.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 26' ' ' CYS . 12.3 t80 -53.66 -39.47 65.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt -61.26 -29.63 69.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -88.14 -40.79 13.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.6 mt -52.64 -39.55 61.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.8 ppt_? -52.19 -31.65 32.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.7 t -52.64 -18.32 1.72 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.555 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 63.6 m-70 -104.53 -28.44 11.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -68.89 -34.21 75.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -138.92 132.18 29.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 92.4 m -142.26 147.71 36.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -125.06 154.69 71.46 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.576 0.703 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 1.42 4.43 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.698 2.265 . . . . 0.0 112.316 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.2 m -67.9 105.04 1.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 74.39 153.28 3.13 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.492 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.84 -165.41 0.15 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.665 2.244 . . . . 0.0 112.327 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 t -53.46 144.29 17.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.841 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 45.4 t -60.69 117.74 5.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 119.134 -0.814 . . . . 0.0 112.499 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.6 p -57.61 142.52 44.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.844 0.355 . . . . 0.0 110.875 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.0 t -125.93 90.5 3.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.852 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.66 164.5 28.22 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.451 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.2 p -66.2 136.5 55.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.924 0.392 . . . . 0.0 110.83 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.3 p -144.24 136.77 26.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.855 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.55 127.69 4.0 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.5 t -113.31 -23.59 9.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.813 0.34 . . . . 0.0 111.124 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -171.8 -111.93 0.27 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.478 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.37 158.42 19.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.874 0.368 . . . . 0.0 110.925 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -143.03 139.16 16.48 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.57 0.7 . . . . 0.0 110.927 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -47.87 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.698 2.265 . . . . 0.0 112.346 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.577 ' CZ ' ' HB3' ' A' ' 25' ' ' SER . 31.3 m-85 -103.52 144.31 31.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -145.25 156.04 43.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.8 t -86.07 143.31 28.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -99.62 -1.76 37.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.573 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 38.8 mm-40 -94.71 -57.01 2.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.9 p -113.85 -24.25 9.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.4 8.54 35.3 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.494 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.516 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 10.3 mmm -62.57 130.36 44.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.783 0.325 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.506 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 27.2 p30 -97.87 152.93 18.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.516 ' CE1' ' HB3' ' A' ' 20' ' ' MET . 12.9 m-85 -145.75 125.33 13.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.852 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.4 m -50.71 -48.76 58.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.5 m95 -79.32 170.47 16.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 82.5 p -88.56 -60.49 1.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 27' ' ' SER . 73.9 m -58.25 -46.82 85.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 26' ' ' CYS . 87.6 p -36.11 -45.2 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.5 tp -60.96 -49.76 76.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.964 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' A' ' 26' ' ' CYS . 4.2 t80 -49.54 -41.15 40.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.1 ttmt -60.33 -29.58 68.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -86.42 -42.67 13.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.432 HD23 ' HG2' ' A' ' 17' ' ' GLU . 11.8 mt -47.03 -38.04 10.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.413 ' C ' ' HD3' ' A' ' 33' ' ' ARG . 0.6 OUTLIER -54.57 -35.44 63.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.2 m -48.6 -21.23 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.573 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 51.9 m-70 -100.79 -27.84 13.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -75.16 -35.54 61.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.12 104.96 13.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 97.3 m -156.03 144.25 19.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -124.93 151.99 69.47 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.57 0.7 . . . . 0.0 110.854 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 128.85 16.56 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.628 2.219 . . . . 0.0 112.312 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.8 m -93.65 135.94 34.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.14 159.64 18.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.499 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 87.31 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.692 2.261 . . . . 0.0 112.344 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.0 m -131.34 80.61 1.94 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 t -172.54 118.78 0.37 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.498 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.5 m -98.2 100.28 11.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.838 0.351 . . . . 0.0 110.834 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.5 p -117.31 42.3 2.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.16 109.79 3.41 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.499 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.4 t -62.34 177.88 0.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 0.0 110.846 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 m -119.6 127.45 52.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.46 121.02 7.03 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.47 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.6 t -82.19 166.58 19.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.811 0.338 . . . . 0.0 111.155 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 178.75 174.92 45.39 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.487 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -108.37 148.47 30.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.884 0.373 . . . . 0.0 110.906 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -144.53 122.18 6.58 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.573 0.701 . . . . 0.0 110.852 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.408 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.8 -44.89 1.79 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.688 2.259 . . . . 0.0 112.343 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.568 ' CD2' ' O ' ' A' ' 24' ' ' TRP . 31.8 m-85 -103.51 151.01 23.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.847 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -152.58 160.8 43.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 20' ' ' MET . 1.8 t -93.19 112.56 24.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.8 mmmt -71.72 1.07 7.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.417 ' HB2' ' NE2' ' A' ' 35' ' ' HIS . 7.9 mm-40 -94.82 -52.93 4.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.3 p -119.23 -22.55 7.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 105.55 5.65 39.2 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.502 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.456 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 19.8 mmm -58.39 131.98 52.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.792 0.33 . . . . 0.0 110.855 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.8 p30 -95.6 147.22 23.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.456 ' CE1' ' HB3' ' A' ' 20' ' ' MET . 62.8 m-85 -140.81 123.37 16.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.7 m -55.63 -44.63 77.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.568 ' O ' ' CD2' ' A' ' 13' ' ' PHE . 3.9 m95 -81.91 -175.23 5.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.944 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.477 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 52.5 p -107.47 -39.44 5.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.867 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 29' ' ' PHE . 88.5 m -77.54 -51.98 9.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 26' ' ' CYS . 4.0 t -35.13 -43.06 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.404 HD13 ' CD1' ' A' ' 22' ' ' PHE . 16.2 tp -55.02 -48.11 73.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.892 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.448 ' N ' ' O ' ' A' ' 26' ' ' CYS . 17.6 t80 -50.69 -44.83 57.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.4 ttmt -56.78 -27.06 59.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -90.9 -40.65 11.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.7 mt -49.88 -37.03 29.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.409 ' C ' ' HD3' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -50.95 -32.79 22.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 63.6 p -51.41 -20.23 1.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.417 ' NE2' ' HB2' ' A' ' 17' ' ' GLU . 69.6 m-70 -103.11 -28.81 11.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.853 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -68.01 -30.7 70.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.5 tpt180 -102.23 95.43 6.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 90.7 m -99.04 144.43 28.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.186 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.43 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 2.2 t70 -111.17 140.8 23.22 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.541 0.686 . . . . 0.0 110.853 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.43 ' HD2' ' CG ' ' A' ' 39' ' ' ASP . 53.9 Cg_endo -69.72 106.38 1.64 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.7 2.267 . . . . 0.0 112.367 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 m -164.28 167.36 19.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -93.91 162.82 25.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.49 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 146.92 61.45 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.704 2.269 . . . . 0.0 112.312 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.7 t -78.6 82.4 4.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 89.3 p 37.77 43.64 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.825 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.172 -0.793 . . . . 0.0 112.52 179.959 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.7 m -107.01 119.78 40.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.908 0.385 . . . . 0.0 110.802 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.3 p -109.74 82.1 1.54 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.874 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.37 69.35 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.544 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t -138.25 133.73 33.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.913 0.387 . . . . 0.0 110.859 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.5 t -163.07 147.79 11.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.837 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.38 -156.43 15.63 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.508 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.1 t -134.21 139.71 45.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.835 0.35 . . . . 0.0 111.124 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -141.26 63.73 0.52 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.525 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -117.65 152.91 34.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.859 0.361 . . . . 0.0 110.877 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.2 mmtm -144.0 138.15 14.78 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.632 0.729 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -45.94 1.38 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.679 2.253 . . . . 0.0 112.369 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 25' ' ' SER . 79.4 m-85 -111.92 139.31 47.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -135.66 153.96 51.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.426 ' N ' ' O ' ' A' ' 20' ' ' MET . 12.5 t -84.0 135.55 34.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.02 6.44 47.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.473 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 15.2 mm-40 -102.96 -54.26 2.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -118.78 -22.54 7.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.822 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.33 -6.48 30.28 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.548 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 29.7 mmm -48.81 129.03 16.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.756 0.312 . . . . 0.0 110.887 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.41 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 46.1 m-80 -105.77 150.12 25.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.41 ' CD1' ' C ' ' A' ' 21' ' ' ASN . 9.8 m-85 -139.11 149.45 44.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.439 ' OG ' ' CD1' ' A' ' 24' ' ' TRP . 50.3 p -79.3 -26.47 42.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.439 ' CD1' ' OG ' ' A' ' 23' ' ' SER . 1.2 m95 -107.65 132.99 52.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.913 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 94.9 p -53.72 -53.65 49.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.872 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 27' ' ' SER . 61.7 m -57.51 -53.51 57.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 26' ' ' CYS . 2.7 m -35.0 -63.84 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.7 tp -40.41 -49.51 2.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -49.2 -49.97 40.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.2 ttmm -54.05 -22.36 10.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.548 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 12.3 t60 -94.73 -40.78 9.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.5 mt -51.74 -31.18 25.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.432 ' HD2' ' N ' ' A' ' 34' ' ' SER . 3.9 ppt_? -55.5 -39.63 70.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.432 ' N ' ' HD2' ' A' ' 33' ' ' ARG . 7.3 m -47.23 -20.17 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.473 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 63.9 m-70 -101.11 -29.69 12.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -68.24 -28.81 67.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.4 tpm_? -117.22 116.07 26.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 95.9 m -147.58 120.19 8.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.17 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.526 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -58.91 -58.03 22.54 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.594 0.712 . . . . 0.0 110.866 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 39' ' ' ASP . 54.2 Cg_endo -69.77 168.4 21.67 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.728 2.286 . . . . 0.0 112.313 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 84.1 p -106.18 131.54 53.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -93.29 -176.15 40.5 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.505 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -3.39 11.88 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.714 2.276 . . . . 0.0 112.348 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.1 t -75.39 85.55 2.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.5 m -95.46 102.04 13.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.162 -0.799 . . . . 0.0 112.513 179.994 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.1 p -155.76 155.68 33.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.903 0.382 . . . . 0.0 110.831 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.8 p -105.53 174.06 6.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.87 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.91 104.02 0.73 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.457 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.4 m -91.47 91.0 7.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.907 0.384 . . . . 0.0 110.878 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.8 t -54.33 114.49 1.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.02 -90.82 1.93 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.457 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.3 t -91.86 149.51 21.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.833 0.349 . . . . 0.0 111.119 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.52 60.98 0.19 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -69.33 164.69 22.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.971 0.415 . . . . 0.0 110.874 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.436 ' NZ ' ' HA ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -108.55 126.59 29.18 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.595 0.712 . . . . 0.0 110.875 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.77 -44.73 1.9 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.696 2.264 . . . . 0.0 112.382 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.539 ' CZ ' ' HB2' ' A' ' 25' ' ' SER . 82.0 m-85 -113.62 155.23 25.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -149.51 159.82 43.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.423 ' N ' ' O ' ' A' ' 20' ' ' MET . 7.0 t -87.07 138.2 31.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.4 mmtp -97.05 5.18 50.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.548 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 23.4 mm-40 -101.69 -54.2 2.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -117.12 -22.94 8.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.64 6.18 35.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.492 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.548 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 26.5 mmm -56.97 130.01 44.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.76 0.314 . . . . 0.0 110.853 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.1 p30 -98.09 146.55 25.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.437 ' CE1' ' HB3' ' A' ' 20' ' ' MET . 48.2 m-85 -138.25 142.32 39.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.1 m -69.78 -46.6 65.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.6 m95 -82.7 -176.6 6.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.539 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 34.7 t -104.34 -36.73 7.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 27' ' ' SER . 79.1 m -78.02 -53.78 7.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 26' ' ' CYS . 3.4 t -34.74 -45.6 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.748 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.418 HD13 ' CD1' ' A' ' 22' ' ' PHE . 17.1 tp -51.86 -50.3 61.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.926 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.405 ' N ' ' O ' ' A' ' 26' ' ' CYS . 16.7 t80 -48.75 -45.43 39.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.0 ttmm -54.29 -28.52 42.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.548 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 10.4 t60 -91.53 -42.09 10.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.4 mt -50.71 -38.61 48.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.2 ppt_? -51.7 -32.09 28.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.9 t -53.43 -18.61 2.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.808 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.548 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 66.7 m-70 -104.58 -28.18 11.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.823 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -69.57 -33.28 72.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -83.25 -49.92 8.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 98.5 m -55.88 151.04 12.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -90.8 135.96 28.31 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.575 0.702 . . . . 0.0 110.875 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -174.04 0.83 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.71 2.273 . . . . 0.0 112.375 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 79.5 p -174.31 121.68 0.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.884 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.56 173.74 54.83 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.497 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.7 Cg_endo -69.75 -45.41 1.6 Allowed 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.704 2.27 . . . . 0.0 112.351 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 43' ' ' PRO . 81.6 p 35.82 42.67 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 44' ' ' SER . 93.3 p -37.19 118.01 0.58 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.859 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.477 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.3 m -71.39 -50.48 31.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.868 0.366 . . . . 0.0 110.885 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.8 m -80.64 153.27 28.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.53 -115.31 4.7 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.449 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 t -160.18 131.84 6.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.861 0.362 . . . . 0.0 110.9 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.7 m -119.76 42.2 2.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.86 159.17 8.04 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.5 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.535 HG23 ' O ' ' A' ' 8' ' ' THR . 6.9 t -141.08 110.96 6.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.855 0.36 . . . . 0.0 111.152 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -167.57 -122.5 0.61 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.464 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.427 ' C ' ' HE3' ' A' ' 11' ' ' LYS . 12.2 pt-20 -139.94 164.23 30.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.965 0.412 . . . . 0.0 110.891 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.427 ' HE3' ' C ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -91.16 120.43 68.53 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.57 0.7 . . . . 0.0 110.92 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -39.28 6.76 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.679 2.253 . . . . 0.0 112.345 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.433 ' CZ ' ' HB2' ' A' ' 25' ' ' SER . 69.9 m-85 -110.1 151.03 27.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.81 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -145.13 163.0 35.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.478 ' N ' ' O ' ' A' ' 20' ' ' MET . 4.0 t -92.88 114.62 27.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.0 mmtm -75.15 1.88 12.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.433 ' HB2' ' NE2' ' A' ' 35' ' ' HIS . 46.7 mm-40 -94.99 -51.24 4.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -123.93 -20.5 5.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.98 -0.76 33.64 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.478 ' O ' ' N ' ' A' ' 15' ' ' CYS . 16.8 mmm -51.95 131.13 31.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 0.0 110.855 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -96.99 149.32 22.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.452 ' CE1' ' HB3' ' A' ' 20' ' ' MET . 79.4 m-85 -143.43 126.15 16.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 78.1 p -56.39 -49.63 73.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -83.55 169.23 15.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.433 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 35.4 t -85.15 -60.95 1.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 27' ' ' SER . 93.2 m -54.53 -48.76 71.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 26' ' ' CYS . 73.9 m -34.64 -55.0 0.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.826 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.6 tp -47.06 -50.57 19.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -48.88 -47.24 43.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -54.01 -27.27 30.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -91.87 -39.42 11.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.5 mt -49.8 -39.24 37.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.2 ppt_? -52.03 -32.78 35.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.5 t -54.46 -14.64 1.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.433 ' NE2' ' HB2' ' A' ' 17' ' ' GLU . 90.5 m-70 -103.32 -31.19 10.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -69.78 -20.99 63.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 38.0 ttt180 -132.05 152.0 51.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.5 m -148.75 132.04 16.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -85.73 152.54 57.04 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.601 0.715 . . . . 0.0 110.826 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -2.61 10.46 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.637 2.225 . . . . 0.0 112.328 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.7 p -125.75 158.57 34.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.72 162.88 44.6 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.463 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 115.21 3.98 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.685 2.257 . . . . 0.0 112.342 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 81.6 p -41.5 155.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.3 p -75.8 122.9 24.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 CA-C-O 119.187 -0.785 . . . . 0.0 112.491 -179.948 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t -80.04 118.68 21.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.856 0.36 . . . . 0.0 110.829 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.6 p -152.81 171.48 18.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.852 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 47.48 42.99 20.08 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.516 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.9 t -139.68 146.94 40.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.844 0.354 . . . . 0.0 110.901 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.7 p -59.59 -44.48 93.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.2 135.02 1.91 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.4 t -62.47 164.65 7.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.825 0.345 . . . . 0.0 111.158 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 119.13 -146.25 18.26 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.512 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -149.26 164.53 34.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.953 0.406 . . . . 0.0 110.865 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.4 mmtm -144.95 140.24 16.01 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.616 0.722 . . . . 0.0 110.842 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 -49.96 0.5 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.631 2.22 . . . . 0.0 112.36 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.563 ' CZ ' ' HB2' ' A' ' 25' ' ' SER . 41.1 m-85 -97.29 142.09 29.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -142.11 153.36 44.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.928 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.41 ' N ' ' O ' ' A' ' 20' ' ' MET . 12.1 t -81.62 132.42 35.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.88 7.41 42.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.483 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 3.7 mm-40 -103.83 -49.39 3.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -124.26 -22.5 4.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.74 -7.62 29.77 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.454 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.566 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 33.1 mmm -47.76 129.6 14.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.805 0.336 . . . . 0.0 110.867 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.512 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 15.6 p30 -99.27 160.82 14.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.512 ' CD1' ' C ' ' A' ' 21' ' ' ASN . 59.0 m-85 -154.43 114.45 3.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.1 t -43.85 -38.19 3.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 3.0 m95 -91.43 169.0 11.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 43.0 t -89.44 -51.62 5.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 27' ' ' SER . 86.1 m -62.25 -50.93 69.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 26' ' ' CYS . 15.1 m -36.25 -55.86 0.78 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.735 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 tp -50.06 -49.15 52.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.897 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -47.48 -51.01 21.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.3 ttmm -53.79 -25.6 19.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.566 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 15.5 t60 -90.33 -39.07 12.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.407 HD23 ' HG2' ' A' ' 17' ' ' GLU . 9.4 mt -53.08 -39.58 63.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.46 ' HD2' ' N ' ' A' ' 34' ' ' SER . 8.3 ppt_? -50.53 -37.85 41.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.46 ' N ' ' HD2' ' A' ' 33' ' ' ARG . 52.9 p -44.18 -22.51 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.483 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 35.4 m-70 -101.82 -29.03 12.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 33' ' ' ARG . 4.8 pt-20 -66.32 -27.68 68.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.0 ptt180 -94.5 146.96 23.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 89.0 m -141.04 115.1 9.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.497 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 4.1 m-20 -64.21 -60.17 9.33 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.642 0.735 . . . . 0.0 110.862 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 39' ' ' ASP . 54.0 Cg_endo -69.75 107.45 1.86 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.669 2.246 . . . . 0.0 112.323 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.9 t -76.85 91.58 3.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -169.58 165.05 38.51 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.489 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 106.36 1.66 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.694 2.263 . . . . 0.0 112.335 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 36.8 p -119.28 95.43 4.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.2 m -107.69 102.13 11.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.105 -0.83 . . . . 0.0 112.485 -179.992 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.9 p -46.62 135.5 8.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.873 0.368 . . . . 0.0 110.875 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.6 t -51.97 139.09 23.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.45 62.46 0.48 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.488 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.3 t -92.64 -53.45 4.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.893 0.377 . . . . 0.0 110.852 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.3 p -95.86 128.96 43.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.877 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.38 -153.63 6.78 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.451 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.0 t -108.55 -18.57 13.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.833 0.349 . . . . 0.0 111.115 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 138.91 -143.02 13.57 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.498 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -106.27 176.62 5.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.893 0.377 . . . . 0.0 110.914 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.463 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -127.83 95.38 34.82 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.551 0.691 . . . . 0.0 110.97 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -32.69 18.31 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.641 2.227 . . . . 0.0 112.376 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -108.33 144.71 35.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -140.25 157.82 44.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.1 t -86.62 133.89 33.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -94.6 6.96 47.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.416 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 2.8 mm-40 -103.09 -48.38 4.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.7 p -122.65 -22.7 5.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.09 7.23 38.46 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.504 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.454 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 14.3 mmm -58.47 129.63 42.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.798 0.333 . . . . 0.0 110.881 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -95.08 143.2 26.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.453 ' CE1' ' HB3' ' A' ' 20' ' ' MET . 76.9 m-85 -136.74 145.58 44.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 45.3 t -75.6 -51.26 13.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -82.95 170.91 14.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.0 t -85.84 -55.86 3.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 26.2 p -61.39 -37.28 82.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.913 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.7 m -45.77 -50.44 13.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.3 tp -53.15 -52.5 58.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -46.36 -45.51 17.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.8 ttpp -54.42 -30.15 51.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.454 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 14.7 t60 -89.6 -42.5 11.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.832 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.9 mt -48.28 -38.85 19.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.946 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.412 ' C ' ' HD3' ' A' ' 33' ' ' ARG . 0.6 OUTLIER -51.84 -32.36 31.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 67.4 m -54.95 -14.29 1.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.416 ' CE1' ' HB2' ' A' ' 17' ' ' GLU . 78.5 m-70 -106.05 -29.73 9.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -70.32 -25.4 63.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.2 ttm105 -71.04 -60.97 1.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 95.5 m -46.12 150.41 0.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -123.62 143.92 43.0 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.578 0.704 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 93.82 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.681 2.254 . . . . 0.0 112.34 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.9 m -124.69 170.24 11.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.5 170.89 12.57 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.458 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 97.17 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.679 2.253 . . . . 0.0 112.358 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 45' ' ' SER . 49.6 p -146.71 133.54 20.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 44' ' ' SER . 1.7 t 35.76 42.06 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.494 -179.961 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.9 p -88.83 -31.44 18.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 0.0 110.848 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.5 p -173.66 164.98 4.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.6 -137.71 3.07 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.1 t -133.73 152.92 52.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.872 0.368 . . . . 0.0 110.894 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.2 t -131.76 114.06 14.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.19 149.84 21.56 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.453 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.2 t -168.34 157.74 9.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.802 0.334 . . . . 0.0 111.139 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -84.11 -167.51 42.49 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.461 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.419 ' C ' ' HE2' ' A' ' 11' ' ' LYS . 0.4 OUTLIER -80.3 143.9 33.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.859 0.361 . . . . 0.0 110.866 -179.846 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.425 ' NZ ' ' HA ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -108.34 92.38 9.67 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.61 0.719 . . . . 0.0 110.851 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.543 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.82 -38.33 7.83 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.694 2.262 . . . . 0.0 112.339 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.577 ' CZ ' ' HB3' ' A' ' 25' ' ' SER . 42.8 m-85 -98.88 148.42 23.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -147.74 155.67 41.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.0 t -88.59 121.71 31.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.8 mmmm -82.22 7.23 14.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.435 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 2.6 mm-40 -102.03 -54.55 2.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.87 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.9 p -116.43 -23.17 8.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.67 3.42 37.23 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.46 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.56 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 32.3 mmm -54.73 129.56 37.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.85 0.357 . . . . 0.0 110.845 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.442 ' C ' ' OD1' ' A' ' 21' ' ' ASN . 12.7 p30 -94.15 152.63 18.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.542 ' CE1' ' HB3' ' A' ' 20' ' ' MET . 62.7 m-85 -148.97 137.62 21.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 92.2 p -71.91 -49.76 35.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.561 ' O ' ' CD2' ' A' ' 13' ' ' PHE . 2.1 m95 -77.46 -179.88 6.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 77.6 p -97.7 -58.9 1.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.886 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 27' ' ' SER . 73.3 m -58.05 -46.59 85.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 26' ' ' CYS . 68.1 m -37.45 -55.16 1.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.432 HD13 ' CD1' ' A' ' 22' ' ' PHE . 15.2 tp -49.03 -51.48 30.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.909 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -48.27 -46.04 35.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.901 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -55.11 -26.84 40.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.56 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 12.5 t60 -91.81 -41.15 10.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.3 mt -52.22 -36.26 51.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.963 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.407 ' HD2' ' C ' ' A' ' 33' ' ' ARG . 6.7 ppt_? -53.14 -28.24 24.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.1 m -59.37 -13.34 8.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.435 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 71.9 m-70 -108.39 -27.84 9.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.838 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -70.41 -33.19 71.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.857 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.0 ttt85 -89.82 -57.5 2.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 90.9 m -104.47 149.34 25.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.112 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -85.34 135.17 39.2 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.584 0.707 . . . . 0.0 110.916 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 150.0 67.55 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.705 2.27 . . . . 0.0 112.337 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 t -136.48 119.1 15.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 120.94 176.3 15.42 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.526 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 155.03 67.05 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.721 2.281 . . . . 0.0 112.312 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.7 p -133.65 119.02 18.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.0 m -68.85 130.05 41.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.503 -179.964 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.7 t -94.18 43.21 1.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.899 0.381 . . . . 0.0 110.919 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.7 p -38.35 -40.77 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.874 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.34 92.59 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.486 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m -55.62 -58.61 7.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.874 0.369 . . . . 0.0 110.846 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.3 p -147.35 133.8 19.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.91 -142.52 8.91 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.507 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.3 t -152.63 145.06 24.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.817 0.341 . . . . 0.0 111.119 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.58 48.67 2.92 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.445 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -68.61 153.64 43.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.881 0.372 . . . . 0.0 110.879 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.401 ' CB ' ' HB2' ' A' ' 21' ' ' ASN . 26.9 mmtp -97.89 119.61 61.92 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.582 0.706 . . . . 0.0 110.888 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -49.56 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.309 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.555 ' CZ ' ' HB2' ' A' ' 25' ' ' SER . 74.9 m-85 -91.62 155.77 18.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -147.74 157.46 43.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.916 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.418 ' N ' ' O ' ' A' ' 20' ' ' MET . 6.0 t -87.74 122.84 31.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -82.57 4.44 24.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.545 ' CG ' HD23 ' A' ' 32' ' ' LEU . 3.3 mm-40 -98.37 -58.51 1.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -115.36 -21.86 9.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.49 -10.82 28.31 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.501 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.536 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 14.3 mmm -43.81 130.65 5.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.769 0.319 . . . . 0.0 110.856 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.465 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 13.8 p30 -100.59 156.11 17.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.465 ' CD1' ' C ' ' A' ' 21' ' ' ASN . 35.1 m-85 -147.09 145.18 29.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.574 ' C ' ' CG ' ' A' ' 24' ' ' TRP . 10.7 t -86.4 34.23 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.574 ' CG ' ' C ' ' A' ' 23' ' ' SER . 1.0 OUTLIER -163.92 174.97 10.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.929 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.555 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 31.3 t -96.23 -38.66 10.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 27' ' ' SER . 60.9 m -76.34 -55.05 5.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 26' ' ' CYS . 62.5 m -35.59 -56.59 0.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.1 tp -48.49 -49.68 34.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.929 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -48.75 -51.21 30.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.1 ttpp -52.59 -22.96 5.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.536 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 11.5 t60 -94.54 -40.73 9.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.545 HD23 ' CG ' ' A' ' 17' ' ' GLU . 7.1 mt -52.3 -33.7 43.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.464 ' HD3' ' N ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -52.33 -38.39 58.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.464 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 14.9 m -47.38 -19.96 0.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 -179.782 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.466 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 57.8 m-70 -101.81 -29.96 11.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -68.38 -28.89 67.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.5 tpp180 -116.01 97.78 6.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 83.0 m -148.44 124.6 10.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.157 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.511 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 0.1 OUTLIER -67.86 -59.0 7.15 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.536 0.684 . . . . 0.0 110.834 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 39' ' ' ASP . 53.5 Cg_endo -69.81 -169.32 0.32 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.656 2.238 . . . . 0.0 112.342 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.8 p -99.26 -18.19 17.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 127.18 161.57 10.89 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.52 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 150.52 68.27 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.637 2.225 . . . . 0.0 112.346 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 73.4 p -47.5 121.8 4.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.8 m -171.81 146.85 2.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.864 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.457 -179.967 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.7 p 39.81 42.21 0.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.871 0.367 . . . . 0.0 110.833 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 m -51.0 -60.8 2.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.82 143.51 3.69 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.48 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.0 m -75.79 -46.29 31.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.88 0.371 . . . . 0.0 110.849 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 t -79.07 91.51 4.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.814 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.77 95.02 0.17 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.487 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.8 t -100.24 -19.29 16.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.787 0.327 . . . . 0.0 111.149 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -136.59 139.63 10.8 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.48 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -81.88 148.42 28.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.856 0.36 . . . . 0.0 110.9 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm -101.83 113.11 65.93 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.636 0.731 . . . . 0.0 110.891 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -46.67 1.14 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.762 2.308 . . . . 0.0 112.288 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.459 ' CZ ' ' OG ' ' A' ' 25' ' ' SER . 93.6 m-85 -92.53 153.46 19.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -149.22 158.9 44.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.453 ' N ' ' O ' ' A' ' 20' ' ' MET . 2.2 t -91.66 113.28 25.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.4 mmmm -74.03 1.16 11.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.431 ' HB2' ' NE2' ' A' ' 35' ' ' HIS . 3.6 mm-40 -94.09 -53.52 3.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -119.96 -21.86 6.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.53 1.78 35.01 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.565 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 28.8 mmm -55.0 129.71 38.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.743 0.306 . . . . 0.0 110.877 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -96.08 150.51 20.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.438 ' CE1' ' HB3' ' A' ' 20' ' ' MET . 80.7 m-85 -144.43 134.19 23.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 t -65.38 -49.17 70.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.7 m95 -77.37 -179.06 5.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.459 ' OG ' ' CZ ' ' A' ' 13' ' ' PHE . 7.7 m -97.92 -58.76 1.91 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 27' ' ' SER . 26.3 p -62.31 -45.54 92.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 26' ' ' CYS . 55.8 m -35.26 -48.54 0.46 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.716 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.5 tp -52.6 -50.92 62.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -47.02 -46.9 22.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -53.97 -29.19 41.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.942 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.565 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 14.5 t60 -90.04 -40.07 12.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.1 mt -49.27 -40.74 35.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.445 ' HD2' ' N ' ' A' ' 34' ' ' SER . 4.6 ppt_? -48.85 -37.56 19.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.445 ' N ' ' HD2' ' A' ' 33' ' ' ARG . 59.8 p -44.88 -22.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.431 ' NE2' ' HB2' ' A' ' 17' ' ' GLU . 71.2 m-70 -99.63 -29.54 12.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 33' ' ' ARG . 6.8 pt-20 -68.15 -31.29 70.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 38' ' ' THR . 10.1 tpt180 -63.93 160.69 17.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.45 ' C ' ' O ' ' A' ' 37' ' ' ARG . 53.5 m -33.33 127.86 0.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.164 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -73.36 143.03 82.35 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.576 0.703 . . . . 0.0 110.895 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 153.24 69.0 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.692 2.261 . . . . 0.0 112.305 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.4 t -101.36 43.78 1.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -117.07 177.38 16.65 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.453 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 138.55 38.07 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.628 2.219 . . . . 0.0 112.361 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.3 m -67.48 105.16 1.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.6 p -134.19 111.2 10.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.845 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.187 -0.785 . . . . 0.0 112.474 179.986 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.9 p -115.69 174.19 6.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.902 0.382 . . . . 0.0 110.824 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.2 m -131.72 -45.59 0.97 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.875 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.8 -126.21 1.54 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.3 m -125.15 -52.42 1.64 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.851 0.358 . . . . 0.0 110.82 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.7 p -140.37 130.19 24.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.11 132.28 2.54 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.485 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.0 t -164.6 149.51 9.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.816 0.341 . . . . 0.0 111.154 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 157.87 117.72 0.52 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -118.21 126.46 52.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.914 0.388 . . . . 0.0 110.838 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.467 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -129.54 141.29 41.3 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.577 0.703 . . . . 0.0 110.914 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -50.76 0.44 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.695 2.263 . . . . 0.0 112.322 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 25' ' ' SER . 50.0 m-85 -117.05 154.04 31.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -143.15 153.72 43.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 19' ' ' GLY . 2.0 t -89.64 113.08 24.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.8 mmmt -71.84 1.49 6.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.929 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.429 ' HB2' ' NE2' ' A' ' 35' ' ' HIS . 33.5 mm-40 -95.49 -48.53 5.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.5 p -124.8 -22.26 4.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.834 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 105.11 6.8 39.08 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.465 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 22.4 mmm -59.57 131.43 50.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.804 0.335 . . . . 0.0 110.883 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.431 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 12.6 p30 -97.99 144.58 27.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.465 ' CE1' ' HB3' ' A' ' 20' ' ' MET . 71.5 m-85 -138.3 137.02 37.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.8 p -68.64 -41.74 78.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -88.91 159.77 17.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.969 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 20.2 p -76.64 -56.11 4.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.876 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 27' ' ' SER . 90.2 m -62.36 -46.56 88.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 26' ' ' CYS . 12.2 m -34.91 -50.05 0.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.803 -179.726 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.9 tp -54.04 -52.48 60.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -46.94 -46.79 21.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.9 ttmt -54.77 -28.54 49.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -90.14 -40.16 12.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.8 mt -48.01 -40.27 22.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.961 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.427 ' HD3' ' N ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -50.18 -34.9 24.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 179.899 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.427 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 91.5 p -49.4 -19.11 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.751 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.429 ' NE2' ' HB2' ' A' ' 17' ' ' GLU . 82.7 m-70 -102.06 -29.78 11.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -69.82 -21.5 63.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.433 ' C ' ' HD2' ' A' ' 37' ' ' ARG . 1.2 tmm_? -102.38 151.35 22.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 91.2 m -122.01 142.34 50.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.18 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -79.78 139.13 53.99 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.573 0.702 . . . . 0.0 110.904 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -11.77 31.56 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.713 2.276 . . . . 0.0 112.356 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.9 t -47.21 128.3 11.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.843 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 120.88 151.57 8.65 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.491 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -49.48 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.682 2.255 . . . . 0.0 112.334 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.0 m -107.21 143.13 35.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.855 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 88.9 p -116.53 129.11 56.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 CA-C-O 119.126 -0.819 . . . . 0.0 112.508 179.99 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo . . . . . 0 C--O 1.231 0.16 0 CA-C-O 120.841 0.267 . . . . 0.0 112.352 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.579 ' CZ ' ' HB3' ' A' ' 25' ' ' SER . 47.6 m-85 -95.83 151.64 19.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -150.2 155.27 39.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.422 ' N ' ' O ' ' A' ' 20' ' ' MET . 7.4 t -84.96 136.69 33.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -95.8 7.25 46.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.507 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 21.2 mm-40 -103.66 -50.91 3.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.2 p -121.64 -21.95 6.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.81 2.7 36.88 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.521 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.436 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 20.0 mmm -55.83 131.64 47.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.809 0.337 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -98.63 154.14 18.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.436 ' CE1' ' HB3' ' A' ' 20' ' ' MET . 62.0 m-85 -147.14 126.89 13.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 35.7 m -53.99 -55.68 24.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.823 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.2 m95 -74.78 177.14 6.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 75.3 p -93.79 -59.24 2.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.443 ' O ' ' C ' ' A' ' 27' ' ' SER . 25.7 p -56.09 -48.13 76.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 26' ' ' CYS . 69.8 m -34.71 -58.69 0.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.822 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.8 tp -42.43 -51.1 5.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.934 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -49.69 -47.66 50.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.0 ttmt -53.43 -26.56 20.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.934 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -92.73 -38.21 11.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.2 mt -50.34 -39.93 47.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.462 ' HD3' ' N ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -50.17 -36.24 29.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.462 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 33.3 t -47.48 -21.18 0.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.507 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 69.0 m-70 -102.19 -28.51 12.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.908 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 N--CA 1.466 -0.127 0 CA-C-O 120.825 0.26 . . . . 0.0 112.297 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -92.45 148.91 21.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -149.37 157.39 43.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 20' ' ' MET . 3.1 t -91.35 126.06 36.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.1 8.15 21.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.463 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 29.2 mm-40 -103.54 -52.12 3.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.7 p -119.36 -22.55 7.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.09 4.49 38.55 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.488 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.445 ' O ' ' N ' ' A' ' 15' ' ' CYS . 25.2 mmm -57.72 132.77 54.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.341 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -99.07 152.29 20.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.428 ' CE1' ' HB3' ' A' ' 20' ' ' MET . 58.6 m-85 -145.19 133.93 22.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.0 p -67.17 -47.04 72.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.7 m95 -78.65 -179.67 6.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.9 m -96.66 -58.06 2.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.454 ' O ' ' C ' ' A' ' 27' ' ' SER . 81.2 m -62.2 -46.85 87.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 26' ' ' CYS . 71.2 m -34.43 -50.78 0.44 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.822 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.8 tp -53.14 -52.13 59.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -47.83 -44.9 29.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.9 ttmm -55.69 -29.09 58.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.406 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 12.6 t60 -89.84 -41.0 12.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.8 mt -49.37 -39.18 31.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.466 ' HD3' ' N ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -50.07 -37.61 34.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.92 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.466 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 36.5 t -47.43 -21.11 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.463 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 77.1 m-70 -101.97 -28.72 12.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 -179.908 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.819 0.258 . . . . 0.0 112.381 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -100.61 152.64 20.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -152.0 157.5 41.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.426 ' N ' ' O ' ' A' ' 20' ' ' MET . 4.5 t -87.58 126.35 34.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -86.6 7.11 27.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.541 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 20.9 mm-40 -101.98 -56.07 2.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.6 p -116.31 -22.2 8.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.23 0.43 33.34 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.453 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.518 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 28.7 mmm -53.56 129.36 32.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.773 0.32 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -97.66 151.73 19.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.467 ' CE1' ' HB3' ' A' ' 20' ' ' MET . 42.3 m-85 -144.67 145.04 31.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.845 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.8 t -72.32 -54.83 8.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -73.68 -178.28 3.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 88.5 p -99.54 -49.46 4.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.829 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.423 ' O ' ' C ' ' A' ' 27' ' ' SER . 25.2 p -67.54 -46.5 72.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 26' ' ' CYS . 58.1 m -36.73 -52.09 0.89 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.2 tp -50.22 -49.79 51.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -47.81 -47.22 31.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.5 ttpp -54.03 -29.12 42.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.518 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 17.0 t60 -89.87 -37.51 14.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.7 mt -54.95 -39.48 68.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.41 ' HD2' ' C ' ' A' ' 33' ' ' ARG . 2.5 ppt_? -51.82 -31.07 25.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.1 t -55.45 -13.95 1.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.541 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 87.2 m-70 -105.7 -29.96 9.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.835 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 -179.914 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.171 0 CA-C-O 120.777 0.24 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.448 ' CZ ' ' HB3' ' A' ' 25' ' ' SER . 84.0 m-85 -107.59 150.2 27.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -148.34 153.59 38.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.0 t -82.21 140.54 33.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.889 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -98.72 1.32 45.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.543 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 3.2 mm-40 -97.5 -56.03 2.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.7 p -115.34 -24.2 8.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.44 -8.56 28.47 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.484 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.537 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 29.2 mmm -45.52 129.93 8.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.789 0.328 . . . . 0.0 110.876 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.499 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 0.7 OUTLIER -101.14 156.82 17.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.499 ' CD1' ' C ' ' A' ' 21' ' ' ASN . 24.1 m-85 -147.28 147.31 30.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.564 ' C ' ' CG ' ' A' ' 24' ' ' TRP . 13.9 m -89.54 33.06 0.84 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.844 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.564 ' CG ' ' C ' ' A' ' 23' ' ' SER . 1.6 m95 -163.46 164.47 24.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.448 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 34.4 p -85.28 -39.27 17.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.848 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 26.0 p -76.61 -48.13 20.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 52.6 m -41.37 -57.15 2.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.5 tp -49.81 -50.71 44.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -48.31 -52.57 20.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -50.52 -23.34 2.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.537 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 9.6 t60 -95.63 -39.41 9.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.6 mt -51.91 -36.37 48.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -50.7 -42.52 57.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.454 ' N ' ' HD2' ' A' ' 33' ' ' ARG . 42.3 p -41.96 -24.8 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.82 -179.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.543 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 69.3 m-70 -97.35 -29.72 13.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.835 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 33' ' ' ARG . 4.1 pt-20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.162 0 CA-C-O 120.787 0.244 . . . . 0.0 112.349 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 25' ' ' SER . 50.7 m-85 -101.98 146.66 27.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -145.0 152.48 40.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.8 t -81.79 125.54 30.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -84.88 5.25 29.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.445 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 3.4 mm-40 -99.76 -57.73 2.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -116.12 -22.54 8.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.69 -4.41 29.25 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.528 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.546 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 16.5 mmm -49.69 129.02 19.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.794 0.331 . . . . 0.0 110.896 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.485 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 29.2 p30 -95.26 157.75 15.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.485 ' CD1' ' C ' ' A' ' 21' ' ' ASN . 55.4 m-85 -151.35 120.48 6.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.5 t -49.98 -44.61 50.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -87.81 178.9 6.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.937 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 89.4 p -98.2 -39.81 8.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.901 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 27' ' ' SER . 82.7 m -71.04 -53.1 15.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.922 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 26' ' ' CYS . 1.5 t -35.48 -50.73 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.9 tp -51.82 -51.72 54.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -47.16 -49.22 22.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.8 ttpt -53.69 -27.4 27.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.546 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 11.7 t60 -90.41 -38.08 13.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.2 mt -53.2 -37.24 61.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.944 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.67 -32.5 29.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 63.4 m -54.88 -14.28 1.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.445 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 53.9 m-70 -108.3 -28.65 9.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.967 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.151 0 CA-C-O 120.813 0.255 . . . . 0.0 112.353 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.546 ' CZ ' ' HB2' ' A' ' 25' ' ' SER . 30.5 m-85 -107.39 149.24 28.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -150.79 154.34 37.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.855 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.404 ' N ' ' O ' ' A' ' 20' ' ' MET . 2.1 t -88.54 112.16 22.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -73.09 0.86 10.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.442 ' HB2' ' NE2' ' A' ' 35' ' ' HIS . 2.6 mm-40 -93.76 -54.0 3.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -119.47 -21.63 7.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.23 4.3 38.22 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.472 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 17.4 mmm -57.8 130.0 44.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.848 0.356 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -95.94 148.78 22.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.472 ' CE1' ' HB3' ' A' ' 20' ' ' MET . 69.8 m-85 -142.55 135.48 28.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 88.8 p -64.37 -51.33 63.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -81.42 165.79 20.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.546 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 31.7 t -81.45 -57.52 3.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 27' ' ' SER . 26.3 p -59.6 -47.38 85.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 26' ' ' CYS . 24.6 m -34.76 -51.33 0.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.823 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.3 tp -52.25 -53.57 42.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -44.88 -46.99 11.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.2 ttmt -53.83 -32.03 51.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -87.29 -39.38 15.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.9 mt -48.18 -41.89 28.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.414 ' HD3' ' C ' ' A' ' 33' ' ' ARG . 1.0 OUTLIER -49.44 -34.57 16.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.7 t -48.32 -19.43 0.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.442 ' NE2' ' HB2' ' A' ' 17' ' ' GLU . 80.4 m-70 -102.72 -28.93 11.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -179.94 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.814 0.256 . . . . 0.0 112.354 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.414 ' CD1' ' O ' ' A' ' 24' ' ' TRP . 86.6 m-85 -104.87 157.39 17.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -153.39 158.34 41.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 20' ' ' MET . 4.7 t -88.79 128.63 35.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -87.92 7.24 31.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.563 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 28.9 mm-40 -102.91 -55.32 2.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.3 p -116.71 -21.8 8.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.12 0.78 35.74 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.462 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.562 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 26.9 mmm -53.09 130.87 35.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.751 0.31 . . . . 0.0 110.859 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -99.67 149.82 22.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.443 ' CE1' ' HB3' ' A' ' 20' ' ' MET . 54.0 m-85 -142.43 140.98 32.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.475 ' C ' ' CG ' ' A' ' 24' ' ' TRP . 58.5 m -85.95 34.58 0.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.475 ' CG ' ' C ' ' A' ' 23' ' ' SER . 2.2 m95 -158.52 178.85 9.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.5 t -105.97 -36.5 6.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.863 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 22.1 p -81.14 -47.01 14.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.9 m -43.07 -60.27 1.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.1 tp -42.29 -46.18 4.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -50.16 -44.65 52.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.4 ttmm -59.1 -24.97 63.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.562 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 14.2 t60 -93.23 -34.86 13.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.5 mt -56.42 -35.32 67.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -52.73 -20.05 2.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.76 -1.64 14.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.563 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 54.8 m-70 -127.43 -23.91 3.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.466 -0.128 0 CA-C-O 120.814 0.256 . . . . 0.0 112.325 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 25' ' ' SER . 78.4 m-85 -109.04 151.37 26.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -145.41 153.45 41.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.9 t -84.64 125.14 32.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.19 5.64 33.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.907 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.421 ' HB2' ' NE2' ' A' ' 35' ' ' HIS . 4.2 mm-40 -99.74 -53.05 3.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.949 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.0 p -119.88 -23.52 6.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.5 -12.25 25.74 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.483 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.566 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 22.4 mmm -43.92 128.81 5.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.793 0.33 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.413 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 1.4 p-10 -97.49 159.0 15.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.413 ' CD1' ' C ' ' A' ' 21' ' ' ASN . 88.3 m-85 -152.72 141.47 21.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.563 ' C ' ' CD1' ' A' ' 24' ' ' TRP . 1.3 t -86.44 29.68 0.76 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.814 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.563 ' CD1' ' C ' ' A' ' 23' ' ' SER . 1.7 m95 -163.52 145.35 9.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 71.7 p -68.31 -36.31 79.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.865 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 27' ' ' SER . 60.9 m -75.88 -55.01 6.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.836 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 26' ' ' CYS . 16.3 m -37.1 -55.01 0.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.4 tp -51.68 -47.73 63.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -48.97 -51.16 32.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.4 ttmm -52.42 -21.61 3.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.566 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 16.7 t60 -95.96 -43.27 7.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.87 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.3 mt -47.06 -33.98 5.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.469 ' HD3' ' N ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -51.71 -35.71 44.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.469 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 23.2 m -50.38 -17.98 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.421 ' NE2' ' HB2' ' A' ' 17' ' ' GLU . 55.6 m-70 -106.26 -27.56 10.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.959 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.466 -0.146 0 CA-C-O 120.864 0.277 . . . . 0.0 112.349 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.48 ' CD2' ' O ' ' A' ' 24' ' ' TRP . 76.5 m-85 -100.09 143.23 30.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -144.22 163.73 32.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.5 t -93.94 128.18 40.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.7 mmmt -87.52 7.62 28.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.555 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 31.2 mm-40 -103.18 -55.4 2.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.9 p -116.33 -22.68 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.926 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.98 8.42 36.52 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.521 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.463 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 13.6 mmm -61.65 130.43 45.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.795 0.331 . . . . 0.0 110.895 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.8 p30 -97.23 150.21 21.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.463 ' CE1' ' HB3' ' A' ' 20' ' ' MET . 28.1 m-85 -142.05 141.06 32.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.453 ' C ' ' CG ' ' A' ' 24' ' ' TRP . 4.3 t -85.32 33.63 0.56 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.871 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.48 ' O ' ' CD2' ' A' ' 13' ' ' PHE . 8.2 m95 -158.23 -177.22 6.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.946 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.0 p -107.06 -54.81 2.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 29' ' ' PHE . 72.8 m -63.82 -58.16 7.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.837 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 26' ' ' CYS . 26.8 m -34.29 -59.72 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.419 HD13 ' CD1' ' A' ' 22' ' ' PHE . 16.3 tp -42.57 -44.05 4.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 26' ' ' CYS . 12.3 t80 -53.66 -39.47 65.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt -61.26 -29.63 69.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -88.14 -40.79 13.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.6 mt -52.64 -39.55 61.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.8 ppt_? -52.19 -31.65 32.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.7 t -52.64 -18.32 1.72 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.555 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 63.6 m-70 -104.53 -28.44 11.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 -179.919 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.148 0 CA-C-O 120.843 0.268 . . . . 0.0 112.346 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.577 ' CZ ' ' HB3' ' A' ' 25' ' ' SER . 31.3 m-85 -103.52 144.31 31.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -145.25 156.04 43.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.8 t -86.07 143.31 28.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -99.62 -1.76 37.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.573 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 38.8 mm-40 -94.71 -57.01 2.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.9 p -113.85 -24.25 9.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.4 8.54 35.3 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.494 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.516 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 10.3 mmm -62.57 130.36 44.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.783 0.325 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.506 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 27.2 p30 -97.87 152.93 18.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.516 ' CE1' ' HB3' ' A' ' 20' ' ' MET . 12.9 m-85 -145.75 125.33 13.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.852 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.4 m -50.71 -48.76 58.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.5 m95 -79.32 170.47 16.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 82.5 p -88.56 -60.49 1.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 27' ' ' SER . 73.9 m -58.25 -46.82 85.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 26' ' ' CYS . 87.6 p -36.11 -45.2 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.5 tp -60.96 -49.76 76.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.964 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' A' ' 26' ' ' CYS . 4.2 t80 -49.54 -41.15 40.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.1 ttmt -60.33 -29.58 68.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -86.42 -42.67 13.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.432 HD23 ' HG2' ' A' ' 17' ' ' GLU . 11.8 mt -47.03 -38.04 10.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.413 ' C ' ' HD3' ' A' ' 33' ' ' ARG . 0.6 OUTLIER -54.57 -35.44 63.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.2 m -48.6 -21.23 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.573 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 51.9 m-70 -100.79 -27.84 13.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.892 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.408 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.195 0 CA-C-O 120.803 0.251 . . . . 0.0 112.343 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.568 ' CD2' ' O ' ' A' ' 24' ' ' TRP . 31.8 m-85 -103.51 151.01 23.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.847 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -152.58 160.8 43.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 20' ' ' MET . 1.8 t -93.19 112.56 24.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.8 mmmt -71.72 1.07 7.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.417 ' HB2' ' NE2' ' A' ' 35' ' ' HIS . 7.9 mm-40 -94.82 -52.93 4.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.3 p -119.23 -22.55 7.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 105.55 5.65 39.2 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.502 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.456 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 19.8 mmm -58.39 131.98 52.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.792 0.33 . . . . 0.0 110.855 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -95.6 147.22 23.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.456 ' CE1' ' HB3' ' A' ' 20' ' ' MET . 62.8 m-85 -140.81 123.37 16.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.7 m -55.63 -44.63 77.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.568 ' O ' ' CD2' ' A' ' 13' ' ' PHE . 3.9 m95 -81.91 -175.23 5.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.944 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.477 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 52.5 p -107.47 -39.44 5.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.867 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 29' ' ' PHE . 88.5 m -77.54 -51.98 9.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 26' ' ' CYS . 4.0 t -35.13 -43.06 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.404 HD13 ' CD1' ' A' ' 22' ' ' PHE . 16.2 tp -55.02 -48.11 73.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.892 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.448 ' N ' ' O ' ' A' ' 26' ' ' CYS . 17.6 t80 -50.69 -44.83 57.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.4 ttmt -56.78 -27.06 59.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -90.9 -40.65 11.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.7 mt -49.88 -37.03 29.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.409 ' HD3' ' C ' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -50.95 -32.79 22.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 63.6 p -51.41 -20.23 1.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.417 ' NE2' ' HB2' ' A' ' 17' ' ' GLU . 69.6 m-70 -103.11 -28.81 11.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.853 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.905 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.842 0.267 . . . . 0.0 112.369 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 25' ' ' SER . 79.4 m-85 -111.92 139.31 47.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -135.66 153.96 51.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.426 ' N ' ' O ' ' A' ' 20' ' ' MET . 12.5 t -84.0 135.55 34.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.02 6.44 47.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.473 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 15.2 mm-40 -102.96 -54.26 2.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -118.78 -22.54 7.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.822 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.33 -6.48 30.28 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.548 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 29.7 mmm -48.81 129.03 16.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.756 0.312 . . . . 0.0 110.887 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.41 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 46.1 m-80 -105.77 150.12 25.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.41 ' CD1' ' C ' ' A' ' 21' ' ' ASN . 9.8 m-85 -139.11 149.45 44.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.439 ' OG ' ' CD1' ' A' ' 24' ' ' TRP . 50.3 p -79.3 -26.47 42.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.439 ' CD1' ' OG ' ' A' ' 23' ' ' SER . 1.2 m95 -107.65 132.99 52.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.913 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 94.9 p -53.72 -53.65 49.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.872 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 27' ' ' SER . 61.7 m -57.51 -53.51 57.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 26' ' ' CYS . 2.7 m -35.0 -63.84 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.7 tp -40.41 -49.51 2.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -49.2 -49.97 40.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.2 ttmm -54.05 -22.36 10.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.548 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 12.3 t60 -94.73 -40.78 9.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.5 mt -51.74 -31.18 25.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.432 ' HD2' ' N ' ' A' ' 34' ' ' SER . 3.9 ppt_? -55.5 -39.63 70.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.432 ' N ' ' HD2' ' A' ' 33' ' ' ARG . 7.3 m -47.23 -20.17 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.473 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 63.9 m-70 -101.11 -29.69 12.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.958 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo . . . . . 0 N--CA 1.465 -0.166 0 CA-C-O 120.843 0.268 . . . . 0.0 112.382 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.539 ' CZ ' ' HB2' ' A' ' 25' ' ' SER . 82.0 m-85 -113.62 155.23 25.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -149.51 159.82 43.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.423 ' N ' ' O ' ' A' ' 20' ' ' MET . 7.0 t -87.07 138.2 31.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.4 mmtp -97.05 5.18 50.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.548 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 23.4 mm-40 -101.69 -54.2 2.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -117.12 -22.94 8.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.64 6.18 35.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.492 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.548 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 26.5 mmm -56.97 130.01 44.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.76 0.314 . . . . 0.0 110.853 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.1 p30 -98.09 146.55 25.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.437 ' CE1' ' HB3' ' A' ' 20' ' ' MET . 48.2 m-85 -138.25 142.32 39.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.1 m -69.78 -46.6 65.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.6 m95 -82.7 -176.6 6.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.539 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 34.7 t -104.34 -36.73 7.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 27' ' ' SER . 79.1 m -78.02 -53.78 7.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 26' ' ' CYS . 3.4 t -34.74 -45.6 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.418 HD13 ' CD1' ' A' ' 22' ' ' PHE . 17.1 tp -51.86 -50.3 61.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.926 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.405 ' N ' ' O ' ' A' ' 26' ' ' CYS . 16.7 t80 -48.75 -45.43 39.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.0 ttmm -54.29 -28.52 42.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.548 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 10.4 t60 -91.53 -42.09 10.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.4 mt -50.71 -38.61 48.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.2 ppt_? -51.7 -32.09 28.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.9 t -53.43 -18.61 2.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.808 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.548 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 66.7 m-70 -104.58 -28.18 11.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.823 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 -179.922 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.161 0 CA-C-O 120.869 0.279 . . . . 0.0 112.345 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.433 ' CZ ' ' HB2' ' A' ' 25' ' ' SER . 69.9 m-85 -110.1 151.03 27.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.81 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -145.13 163.0 35.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.478 ' N ' ' O ' ' A' ' 20' ' ' MET . 4.0 t -92.88 114.62 27.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.0 mmtm -75.15 1.88 12.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.433 ' HB2' ' NE2' ' A' ' 35' ' ' HIS . 46.7 mm-40 -94.99 -51.24 4.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -123.93 -20.5 5.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.98 -0.76 33.64 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.478 ' O ' ' N ' ' A' ' 15' ' ' CYS . 16.8 mmm -51.95 131.13 31.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 0.0 110.855 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -96.99 149.32 22.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.452 ' CE1' ' HB3' ' A' ' 20' ' ' MET . 79.4 m-85 -143.43 126.15 16.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 78.1 p -56.39 -49.63 73.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -83.55 169.23 15.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.433 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 35.4 t -85.15 -60.95 1.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 27' ' ' SER . 93.2 m -54.53 -48.76 71.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 26' ' ' CYS . 73.9 m -34.64 -55.0 0.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.826 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.6 tp -47.06 -50.57 19.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -48.88 -47.24 43.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -54.01 -27.27 30.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -91.87 -39.42 11.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.5 mt -49.8 -39.24 37.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.2 ppt_? -52.03 -32.78 35.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.5 t -54.46 -14.64 1.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.433 ' NE2' ' HB2' ' A' ' 17' ' ' GLU . 90.5 m-70 -103.32 -31.19 10.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.94 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.174 0 CA-C-O 120.791 0.246 . . . . 0.0 112.36 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.563 ' CZ ' ' HB2' ' A' ' 25' ' ' SER . 41.1 m-85 -97.29 142.09 29.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -142.11 153.36 44.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.928 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.41 ' N ' ' O ' ' A' ' 20' ' ' MET . 12.1 t -81.62 132.42 35.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.88 7.41 42.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.483 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 3.7 mm-40 -103.83 -49.39 3.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -124.26 -22.5 4.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.74 -7.62 29.77 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.454 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.566 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 33.1 mmm -47.76 129.6 14.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.805 0.336 . . . . 0.0 110.867 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.512 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 0.8 OUTLIER -99.27 160.82 14.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.512 ' CD1' ' C ' ' A' ' 21' ' ' ASN . 59.0 m-85 -154.43 114.45 3.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.1 t -43.85 -38.19 3.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 3.0 m95 -91.43 169.0 11.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 43.0 t -89.44 -51.62 5.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 27' ' ' SER . 86.1 m -62.25 -50.93 69.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 26' ' ' CYS . 15.1 m -36.25 -55.86 0.78 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.735 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 tp -50.06 -49.15 52.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.897 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -47.48 -51.01 21.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.3 ttmm -53.79 -25.6 19.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.566 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 15.5 t60 -90.33 -39.07 12.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.407 HD23 ' HG2' ' A' ' 17' ' ' GLU . 9.4 mt -53.08 -39.58 63.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.46 ' HD2' ' N ' ' A' ' 34' ' ' SER . 8.3 ppt_? -50.53 -37.85 41.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.46 ' N ' ' HD2' ' A' ' 33' ' ' ARG . 52.9 p -44.18 -22.51 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.483 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 35.4 m-70 -101.82 -29.03 12.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 33' ' ' ARG . 4.8 pt-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.799 0.25 . . . . 0.0 112.376 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -108.33 144.71 35.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -140.25 157.82 44.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.1 t -86.62 133.89 33.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -94.6 6.96 47.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.416 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 2.8 mm-40 -103.09 -48.38 4.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.7 p -122.65 -22.7 5.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.09 7.23 38.46 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.504 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.454 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 14.3 mmm -58.47 129.63 42.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.798 0.333 . . . . 0.0 110.881 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -95.08 143.2 26.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.453 ' CE1' ' HB3' ' A' ' 20' ' ' MET . 76.9 m-85 -136.74 145.58 44.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 45.3 t -75.6 -51.26 13.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -82.95 170.91 14.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.0 t -85.84 -55.86 3.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 26.2 p -61.39 -37.28 82.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.913 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.7 m -45.77 -50.44 13.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.3 tp -53.15 -52.5 58.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -46.36 -45.51 17.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.8 ttpp -54.42 -30.15 51.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.454 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 14.7 t60 -89.6 -42.5 11.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.832 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.9 mt -48.28 -38.85 19.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.946 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.412 ' HD3' ' C ' ' A' ' 33' ' ' ARG . 0.6 OUTLIER -51.84 -32.36 31.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 67.4 m -54.95 -14.29 1.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.416 ' CE1' ' HB2' ' A' ' 17' ' ' GLU . 78.5 m-70 -106.05 -29.73 9.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 -179.878 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.543 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.169 0 CA-C-O 120.777 0.24 . . . . 0.0 112.339 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.577 ' CZ ' ' HB3' ' A' ' 25' ' ' SER . 42.8 m-85 -98.88 148.42 23.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -147.74 155.67 41.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.0 t -88.59 121.71 31.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.8 mmmm -82.22 7.23 14.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.435 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 2.6 mm-40 -102.03 -54.55 2.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.87 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.9 p -116.43 -23.17 8.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.67 3.42 37.23 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.46 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.56 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 32.3 mmm -54.73 129.56 37.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.85 0.357 . . . . 0.0 110.845 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.442 ' OD1' ' C ' ' A' ' 21' ' ' ASN . 12.7 p30 -94.15 152.63 18.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.542 ' CE1' ' HB3' ' A' ' 20' ' ' MET . 62.7 m-85 -148.97 137.62 21.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 92.2 p -71.91 -49.76 35.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.561 ' O ' ' CD2' ' A' ' 13' ' ' PHE . 2.1 m95 -77.46 -179.88 6.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 77.6 p -97.7 -58.9 1.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.886 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 27' ' ' SER . 73.3 m -58.05 -46.59 85.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 26' ' ' CYS . 68.1 m -37.45 -55.16 1.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.432 HD13 ' CD1' ' A' ' 22' ' ' PHE . 15.2 tp -49.03 -51.48 30.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.909 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -48.27 -46.04 35.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.901 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -55.11 -26.84 40.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.56 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 12.5 t60 -91.81 -41.15 10.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.3 mt -52.22 -36.26 51.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.963 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.407 ' HD2' ' C ' ' A' ' 33' ' ' ARG . 6.7 ppt_? -53.14 -28.24 24.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.1 m -59.37 -13.34 8.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.435 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 71.9 m-70 -108.39 -27.84 9.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.838 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.857 -179.874 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.169 0 CA-C-O 120.763 0.234 . . . . 0.0 112.309 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.555 ' CZ ' ' HB2' ' A' ' 25' ' ' SER . 74.9 m-85 -91.62 155.77 18.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -147.74 157.46 43.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.916 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.418 ' N ' ' O ' ' A' ' 20' ' ' MET . 6.0 t -87.74 122.84 31.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -82.57 4.44 24.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.545 ' CG ' HD23 ' A' ' 32' ' ' LEU . 3.3 mm-40 -98.37 -58.51 1.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -115.36 -21.86 9.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.49 -10.82 28.31 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.501 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.536 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 14.3 mmm -43.81 130.65 5.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.769 0.319 . . . . 0.0 110.856 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.465 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 0.5 OUTLIER -100.59 156.11 17.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.465 ' CD1' ' C ' ' A' ' 21' ' ' ASN . 35.1 m-85 -147.09 145.18 29.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.574 ' C ' ' CG ' ' A' ' 24' ' ' TRP . 10.7 t -86.4 34.23 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.574 ' CG ' ' C ' ' A' ' 23' ' ' SER . 1.0 OUTLIER -163.92 174.97 10.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.929 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.555 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 31.3 t -96.23 -38.66 10.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 27' ' ' SER . 60.9 m -76.34 -55.05 5.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 26' ' ' CYS . 62.5 m -35.59 -56.59 0.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.1 tp -48.49 -49.68 34.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.929 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -48.75 -51.21 30.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.1 ttpp -52.59 -22.96 5.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.536 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 11.5 t60 -94.54 -40.73 9.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.545 HD23 ' CG ' ' A' ' 17' ' ' GLU . 7.1 mt -52.3 -33.7 43.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.464 ' HD3' ' N ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -52.33 -38.39 58.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.464 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 14.9 m -47.38 -19.96 0.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 -179.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.466 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 57.8 m-70 -101.81 -29.96 11.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.954 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.175 0 CA-C-O 120.768 0.237 . . . . 0.0 112.288 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.459 ' CZ ' ' OG ' ' A' ' 25' ' ' SER . 93.6 m-85 -92.53 153.46 19.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -149.22 158.9 44.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.453 ' N ' ' O ' ' A' ' 20' ' ' MET . 2.2 t -91.66 113.28 25.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.4 mmmm -74.03 1.16 11.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.431 ' HB2' ' NE2' ' A' ' 35' ' ' HIS . 3.6 mm-40 -94.09 -53.52 3.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -119.96 -21.86 6.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.53 1.78 35.01 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.565 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 28.8 mmm -55.0 129.71 38.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.743 0.306 . . . . 0.0 110.877 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -96.08 150.51 20.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.438 ' CE1' ' HB3' ' A' ' 20' ' ' MET . 80.7 m-85 -144.43 134.19 23.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 t -65.38 -49.17 70.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.7 m95 -77.37 -179.06 5.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.459 ' OG ' ' CZ ' ' A' ' 13' ' ' PHE . 7.7 m -97.92 -58.76 1.91 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 27' ' ' SER . 26.3 p -62.31 -45.54 92.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 26' ' ' CYS . 55.8 m -35.26 -48.54 0.46 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.5 tp -52.6 -50.92 62.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -47.02 -46.9 22.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -53.97 -29.19 41.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.942 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.565 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 14.5 t60 -90.04 -40.07 12.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.1 mt -49.27 -40.74 35.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.445 ' HD2' ' N ' ' A' ' 34' ' ' SER . 4.6 ppt_? -48.85 -37.56 19.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.445 ' N ' ' HD2' ' A' ' 33' ' ' ARG . 59.8 p -44.88 -22.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.431 ' NE2' ' HB2' ' A' ' 17' ' ' GLU . 71.2 m-70 -99.63 -29.54 12.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 33' ' ' ARG . 6.8 pt-20 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.232 0.197 0 CA-C-O 120.837 0.265 . . . . 0.0 112.322 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 25' ' ' SER . 50.0 m-85 -117.05 154.04 31.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -143.15 153.72 43.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 19' ' ' GLY . 2.0 t -89.64 113.08 24.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.8 mmmt -71.84 1.49 6.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.929 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.429 ' HB2' ' NE2' ' A' ' 35' ' ' HIS . 33.5 mm-40 -95.49 -48.53 5.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.5 p -124.8 -22.26 4.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.834 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 105.11 6.8 39.08 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.465 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 22.4 mmm -59.57 131.43 50.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.804 0.335 . . . . 0.0 110.883 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -97.99 144.58 27.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.465 ' CE1' ' HB3' ' A' ' 20' ' ' MET . 71.5 m-85 -138.3 137.02 37.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.8 p -68.64 -41.74 78.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -88.91 159.77 17.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.969 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 20.2 p -76.64 -56.11 4.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.876 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 27' ' ' SER . 90.2 m -62.36 -46.56 88.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 26' ' ' CYS . 12.2 m -34.91 -50.05 0.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.803 -179.726 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.9 tp -54.04 -52.48 60.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -46.94 -46.79 21.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.9 ttmt -54.77 -28.54 49.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -90.14 -40.16 12.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.8 mt -48.01 -40.27 22.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.961 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.427 ' HD3' ' N ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -50.18 -34.9 24.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 179.899 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.427 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 91.5 p -49.4 -19.11 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.429 ' NE2' ' HB2' ' A' ' 17' ' ' GLU . 82.7 m-70 -102.06 -29.78 11.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.922 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.8 p -67.64 89.2 0.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.884 0.373 . . . . 0.0 110.837 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.9 m -119.84 90.14 3.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.864 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.33 106.68 0.2 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.513 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.0 m -112.37 101.44 9.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.824 0.345 . . . . 0.0 110.825 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.4 m -90.64 111.5 22.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.83 166.69 25.31 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.505 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 58.8 p -123.53 132.74 53.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.854 0.359 . . . . 0.0 111.126 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -155.58 93.39 0.13 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.492 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.3 pm0 -96.22 166.96 11.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.925 0.393 . . . . 0.0 110.91 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.6 mmmm -143.16 137.57 14.92 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.561 0.696 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 -50.84 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.706 2.27 . . . . 0.0 112.352 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.579 ' CZ ' ' HB3' ' A' ' 25' ' ' SER . 47.6 m-85 -95.83 151.64 19.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -150.2 155.27 39.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.422 ' N ' ' O ' ' A' ' 20' ' ' MET . 7.4 t -84.96 136.69 33.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -95.8 7.25 46.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.507 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 21.2 mm-40 -103.66 -50.91 3.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.2 p -121.64 -21.95 6.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.81 2.7 36.88 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.521 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.436 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 20.0 mmm -55.83 131.64 47.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.809 0.337 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -98.63 154.14 18.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.436 ' CE1' ' HB3' ' A' ' 20' ' ' MET . 62.0 m-85 -147.14 126.89 13.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 35.7 m -53.99 -55.68 24.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.823 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.2 m95 -74.78 177.14 6.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 75.3 p -93.79 -59.24 2.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.443 ' O ' ' C ' ' A' ' 27' ' ' SER . 25.7 p -56.09 -48.13 76.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 26' ' ' CYS . 69.8 m -34.71 -58.69 0.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.822 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.8 tp -42.43 -51.1 5.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.934 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -49.69 -47.66 50.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.0 ttmt -53.43 -26.56 20.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.934 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -92.73 -38.21 11.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.2 mt -50.34 -39.93 47.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.462 ' HD3' ' N ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -50.17 -36.24 29.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.462 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 33.3 t -47.48 -21.18 0.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.507 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 69.0 m-70 -102.19 -28.51 12.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -69.74 -33.37 72.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.5 tpp180 -90.03 -61.94 1.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 87.8 m -105.73 142.18 35.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -88.57 143.6 32.33 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.554 0.692 . . . . 0.0 110.88 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -4.93 15.02 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.723 2.282 . . . . 0.0 112.343 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 t 72.9 38.09 0.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.872 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 118.67 177.46 16.77 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.497 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 92.33 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.741 2.294 . . . . 0.0 112.359 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.0 m -63.23 -46.05 88.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.856 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 46' ' ' GLY . 6.4 t -106.02 127.4 53.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.888 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 45' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.496 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.0 m -95.38 151.5 19.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.892 0.377 . . . . 0.0 110.844 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.0 m -93.7 162.52 13.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.843 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.89 145.27 13.84 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.506 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 t 61.3 41.46 13.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.847 0.356 . . . . 0.0 110.882 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.9 p -80.55 143.96 32.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.826 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.81 -109.89 0.22 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.501 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 67.5 p -48.0 130.9 15.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.86 0.362 . . . . 0.0 111.15 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.34 -108.24 3.18 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.482 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -84.37 158.68 21.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.86 0.362 . . . . 0.0 110.916 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -141.97 141.36 21.66 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.604 0.716 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -50.37 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.722 2.281 . . . . 0.0 112.297 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -92.45 148.91 21.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -149.37 157.39 43.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 20' ' ' MET . 3.1 t -91.35 126.06 36.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.1 8.15 21.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.463 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 29.2 mm-40 -103.54 -52.12 3.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.7 p -119.36 -22.55 7.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.09 4.49 38.55 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.488 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.445 ' O ' ' N ' ' A' ' 15' ' ' CYS . 25.2 mmm -57.72 132.77 54.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.341 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -99.07 152.29 20.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.428 ' CE1' ' HB3' ' A' ' 20' ' ' MET . 58.6 m-85 -145.19 133.93 22.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.0 p -67.17 -47.04 72.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.7 m95 -78.65 -179.67 6.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.9 m -96.66 -58.06 2.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.454 ' O ' ' C ' ' A' ' 27' ' ' SER . 81.2 m -62.2 -46.85 87.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 26' ' ' CYS . 71.2 m -34.43 -50.78 0.44 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.822 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.8 tp -53.14 -52.13 59.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -47.83 -44.9 29.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.9 ttmm -55.69 -29.09 58.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.406 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 12.6 t60 -89.84 -41.0 12.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.8 mt -49.37 -39.18 31.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.466 ' HD3' ' N ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -50.07 -37.61 34.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.92 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.466 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 36.5 t -47.43 -21.11 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.463 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 77.1 m-70 -101.97 -28.72 12.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -68.78 -36.38 78.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.403 ' HD2' ' C ' ' A' ' 37' ' ' ARG . 1.3 ppt_? -49.01 -36.28 17.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.845 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 46.6 m -43.96 133.11 5.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.436 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 21.0 t70 -94.01 140.73 23.01 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.617 0.723 . . . . 0.0 110.878 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.436 ' HD2' ' CG ' ' A' ' 39' ' ' ASP . 53.8 Cg_endo -69.76 87.63 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.673 2.248 . . . . 0.0 112.372 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.3 p -169.27 135.68 1.68 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.76 156.08 52.72 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.495 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 119.75 6.65 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.674 2.249 . . . . 0.0 112.354 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.5 p -114.8 166.37 11.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.8 t -114.54 138.19 50.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 CA-C-O 119.114 -0.825 . . . . 0.0 112.504 -180.0 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.2 t -106.92 107.27 18.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.895 0.379 . . . . 0.0 110.839 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.6 p -60.91 102.96 0.22 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.65 131.48 26.83 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.438 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 6' ' ' SER . 11.9 t -48.04 -50.07 29.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.886 0.374 . . . . 0.0 110.875 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 5' ' ' SER . 7.0 t 36.7 42.6 0.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.48 -167.29 36.95 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.53 HG23 ' O ' ' A' ' 8' ' ' THR . 10.6 t -127.48 39.44 3.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.811 0.338 . . . . 0.0 111.131 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.6 85.82 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.48 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -60.27 169.69 1.55 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.936 0.398 . . . . 0.0 110.844 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.3 mmmt -145.41 134.92 11.44 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.592 0.71 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -50.14 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.605 2.203 . . . . 0.0 112.381 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -100.61 152.64 20.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -152.0 157.5 41.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.426 ' N ' ' O ' ' A' ' 20' ' ' MET . 4.5 t -87.58 126.35 34.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -86.6 7.11 27.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.541 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 20.9 mm-40 -101.98 -56.07 2.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.6 p -116.31 -22.2 8.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.23 0.43 33.34 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.453 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.518 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 28.7 mmm -53.56 129.36 32.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.773 0.32 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -97.66 151.73 19.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.467 ' CE1' ' HB3' ' A' ' 20' ' ' MET . 42.3 m-85 -144.67 145.04 31.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.845 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.8 t -72.32 -54.83 8.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -73.68 -178.28 3.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 88.5 p -99.54 -49.46 4.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.829 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.423 ' O ' ' C ' ' A' ' 27' ' ' SER . 25.2 p -67.54 -46.5 72.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 26' ' ' CYS . 58.1 m -36.73 -52.09 0.89 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.2 tp -50.22 -49.79 51.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -47.81 -47.22 31.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.5 ttpp -54.03 -29.12 42.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.518 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 17.0 t60 -89.87 -37.51 14.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.7 mt -54.95 -39.48 68.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.41 ' HD2' ' C ' ' A' ' 33' ' ' ARG . 2.5 ppt_? -51.82 -31.07 25.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.1 t -55.45 -13.95 1.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.541 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 87.2 m-70 -105.7 -29.96 9.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.835 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -71.04 -26.4 63.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -93.84 -61.15 1.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.843 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 95.4 m -113.85 146.17 40.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.174 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -112.87 155.4 44.15 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.593 0.711 . . . . 0.0 110.842 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 132.92 24.25 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.717 2.278 . . . . 0.0 112.284 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.6 t -72.79 119.76 17.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -125.87 169.44 17.81 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.467 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 113.35 3.34 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.67 2.247 . . . . 0.0 112.362 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 65.8 p -65.17 -52.88 52.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 80.4 p -68.11 132.73 47.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.181 -0.789 . . . . 0.0 112.437 -179.952 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.7 p 40.15 42.15 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.841 0.353 . . . . 0.0 110.836 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.9 p -174.89 166.67 3.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.1 45.05 12.12 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.49 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.8 t -49.44 113.46 0.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.89 0.376 . . . . 0.0 110.885 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.4 p -100.17 144.98 28.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.83 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 8' ' ' THR . . . -137.04 104.1 0.46 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.488 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 7' ' ' GLY . 7.6 t -37.28 141.28 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.829 0.347 . . . . 0.0 111.104 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 60.51 -136.48 49.21 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.457 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 58.6 tt0 -137.03 163.96 29.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.896 0.379 . . . . 0.0 110.874 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -108.3 135.29 19.97 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.593 0.711 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -43.26 2.8 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.682 2.255 . . . . 0.0 112.343 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.448 ' CZ ' ' HB3' ' A' ' 25' ' ' SER . 84.0 m-85 -107.59 150.2 27.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -148.34 153.59 38.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.0 t -82.21 140.54 33.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.889 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -98.72 1.32 45.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.543 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 3.2 mm-40 -97.5 -56.03 2.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.7 p -115.34 -24.2 8.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.44 -8.56 28.47 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.484 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.537 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 29.2 mmm -45.52 129.93 8.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.789 0.328 . . . . 0.0 110.876 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.499 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 0.7 OUTLIER -101.14 156.82 17.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.499 ' CD1' ' C ' ' A' ' 21' ' ' ASN . 24.1 m-85 -147.28 147.31 30.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.564 ' C ' ' CG ' ' A' ' 24' ' ' TRP . 13.9 m -89.54 33.06 0.84 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.844 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.564 ' CG ' ' C ' ' A' ' 23' ' ' SER . 1.6 m95 -163.46 164.47 24.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.448 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 34.4 p -85.28 -39.27 17.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.848 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 26.0 p -76.61 -48.13 20.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 52.6 m -41.37 -57.15 2.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.5 tp -49.81 -50.71 44.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -48.31 -52.57 20.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -50.52 -23.34 2.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.537 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 9.6 t60 -95.63 -39.41 9.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.6 mt -51.91 -36.37 48.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -50.7 -42.52 57.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.454 ' N ' ' HD2' ' A' ' 33' ' ' ARG . 42.3 p -41.96 -24.8 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.82 -179.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.543 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 69.3 m-70 -97.35 -29.72 13.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.835 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 33' ' ' ARG . 4.1 pt-20 -69.29 -29.87 67.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -106.05 136.05 46.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 57.1 m -158.15 122.53 4.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.168 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.59 143.92 68.7 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.626 0.727 . . . . 0.0 110.848 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 2.83 3.19 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.63 2.22 . . . . 0.0 112.371 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.7 t -140.4 162.68 34.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 172.37 -177.9 44.77 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 86.72 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.686 2.257 . . . . 0.0 112.382 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 55.7 m -59.04 103.35 0.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.2 t -108.09 -62.71 1.41 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.506 -179.979 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 t -113.76 107.43 15.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.884 0.373 . . . . 0.0 110.852 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 m -163.21 143.15 8.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.93 128.83 3.06 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.494 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -168.66 161.62 11.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.862 0.363 . . . . 0.0 110.842 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t -89.26 87.42 7.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.863 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 50.29 -171.86 0.14 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.48 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.1 t -77.28 -19.56 56.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.867 0.365 . . . . 0.0 111.14 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.1 150.65 6.49 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.505 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -91.43 146.56 23.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.924 0.392 . . . . 0.0 110.903 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -128.0 141.89 42.66 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.54 0.685 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -50.82 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.666 2.244 . . . . 0.0 112.349 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 25' ' ' SER . 50.7 m-85 -101.98 146.66 27.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -145.0 152.48 40.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.8 t -81.79 125.54 30.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -84.88 5.25 29.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.445 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 3.4 mm-40 -99.76 -57.73 2.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -116.12 -22.54 8.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.69 -4.41 29.25 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.528 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.546 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 16.5 mmm -49.69 129.02 19.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.794 0.331 . . . . 0.0 110.896 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.485 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 29.2 p30 -95.26 157.75 15.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.485 ' CD1' ' C ' ' A' ' 21' ' ' ASN . 55.4 m-85 -151.35 120.48 6.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.5 t -49.98 -44.61 50.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -87.81 178.9 6.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.937 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 89.4 p -98.2 -39.81 8.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.901 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 27' ' ' SER . 82.7 m -71.04 -53.1 15.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.922 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 26' ' ' CYS . 1.5 t -35.48 -50.73 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.9 tp -51.82 -51.72 54.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -47.16 -49.22 22.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.8 ttpt -53.69 -27.4 27.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.546 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 11.7 t60 -90.41 -38.08 13.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.2 mt -53.2 -37.24 61.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.944 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.405 ' NH1' ' HD3' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -51.67 -32.5 29.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 63.4 m -54.88 -14.28 1.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.445 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 53.9 m-70 -108.3 -28.65 9.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -67.94 -22.69 65.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.405 ' HD3' ' NH1' ' A' ' 33' ' ' ARG . 7.1 ptt85 -102.84 147.04 27.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 55.0 m -146.49 139.8 25.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -99.22 141.6 23.14 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.614 0.721 . . . . 0.0 110.848 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 0.88 4.96 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.709 2.273 . . . . 0.0 112.361 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.0 m -67.14 106.21 1.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.47 158.5 34.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.483 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 133.41 25.46 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.663 2.242 . . . . 0.0 112.331 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.5 m -87.16 -46.87 9.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.3 t 54.53 41.4 31.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.828 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.127 -0.819 . . . . 0.0 112.467 -179.985 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -66.72 162.56 21.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.855 0.36 . . . . 0.0 110.878 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 t -107.71 91.79 3.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.82 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.2 -161.49 39.45 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.488 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.4 m -63.2 159.61 17.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.909 0.385 . . . . 0.0 110.838 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -126.21 139.47 53.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.851 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.65 87.31 0.63 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.451 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.3 p -111.55 39.9 2.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.848 0.356 . . . . 0.0 111.152 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -152.19 143.8 10.81 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.489 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -63.0 161.27 13.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.898 0.38 . . . . 0.0 110.871 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.0 mmtp -138.64 135.23 17.76 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.589 0.709 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -45.04 1.73 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.685 2.257 . . . . 0.0 112.353 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.546 ' CZ ' ' HB2' ' A' ' 25' ' ' SER . 30.5 m-85 -107.39 149.24 28.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -150.79 154.34 37.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.855 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.404 ' N ' ' O ' ' A' ' 20' ' ' MET . 2.1 t -88.54 112.16 22.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -73.09 0.86 10.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.442 ' HB2' ' NE2' ' A' ' 35' ' ' HIS . 2.6 mm-40 -93.76 -54.0 3.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -119.47 -21.63 7.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.23 4.3 38.22 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.472 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 17.4 mmm -57.8 130.0 44.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.848 0.356 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -95.94 148.78 22.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.472 ' CE1' ' HB3' ' A' ' 20' ' ' MET . 69.8 m-85 -142.55 135.48 28.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 88.8 p -64.37 -51.33 63.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -81.42 165.79 20.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.546 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 31.7 t -81.45 -57.52 3.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 27' ' ' SER . 26.3 p -59.6 -47.38 85.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 26' ' ' CYS . 24.6 m -34.76 -51.33 0.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.823 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.3 tp -52.25 -53.57 42.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -44.88 -46.99 11.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.2 ttmt -53.83 -32.03 51.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -87.29 -39.38 15.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.9 mt -48.18 -41.89 28.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.414 ' HD3' ' C ' ' A' ' 33' ' ' ARG . 1.0 OUTLIER -49.44 -34.57 16.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.7 t -48.32 -19.43 0.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.442 ' NE2' ' HB2' ' A' ' 17' ' ' GLU . 80.4 m-70 -102.72 -28.93 11.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -69.11 -32.25 71.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.9 tpt85 -68.26 -62.42 1.41 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.8 m -68.1 135.0 51.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.423 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 8.3 t70 -107.05 139.79 20.77 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.594 0.711 . . . . 0.0 110.863 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.423 ' HD2' ' CG ' ' A' ' 39' ' ' ASP . 54.0 Cg_endo -69.78 87.21 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.725 2.284 . . . . 0.0 112.373 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.9 m -160.04 146.3 15.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 77.39 -174.6 54.58 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.514 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 85.35 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.68 2.253 . . . . 0.0 112.361 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 t -42.71 102.28 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.1 p -44.12 -46.29 8.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.143 -0.809 . . . . 0.0 112.512 180.0 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.4 m -82.99 175.39 10.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.348 . . . . 0.0 110.896 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -161.63 113.02 1.72 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.64 96.94 2.29 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.478 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 m -87.3 46.88 1.42 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.857 0.361 . . . . 0.0 110.839 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.9 m -83.45 48.12 1.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.7 150.44 0.31 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.465 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.0 t -68.32 -19.94 64.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.805 0.336 . . . . 0.0 111.108 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -158.82 -142.63 3.44 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.48 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.4 ' C ' ' HG2' ' A' ' 11' ' ' LYS . 5.7 pt-20 -102.06 167.96 9.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.906 0.384 . . . . 0.0 110.906 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.4 ' HG2' ' C ' ' A' ' 10' ' ' GLU . 24.2 mmmt -150.81 135.13 9.52 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.55 0.691 . . . . 0.0 110.938 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -50.61 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.653 2.236 . . . . 0.0 112.354 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.414 ' CD1' ' O ' ' A' ' 24' ' ' TRP . 86.6 m-85 -104.87 157.39 17.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -153.39 158.34 41.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 20' ' ' MET . 4.7 t -88.79 128.63 35.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -87.92 7.24 31.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.563 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 28.9 mm-40 -102.91 -55.32 2.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.3 p -116.71 -21.8 8.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.12 0.78 35.74 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.462 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.562 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 26.9 mmm -53.09 130.87 35.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.751 0.31 . . . . 0.0 110.859 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -99.67 149.82 22.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.443 ' CE1' ' HB3' ' A' ' 20' ' ' MET . 54.0 m-85 -142.43 140.98 32.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.475 ' C ' ' CG ' ' A' ' 24' ' ' TRP . 58.5 m -85.95 34.58 0.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.475 ' CG ' ' C ' ' A' ' 23' ' ' SER . 2.2 m95 -158.52 178.85 9.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.5 t -105.97 -36.5 6.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.863 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 22.1 p -81.14 -47.01 14.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.9 m -43.07 -60.27 1.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.1 tp -42.29 -46.18 4.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -50.16 -44.65 52.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.4 ttmm -59.1 -24.97 63.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.562 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 14.2 t60 -93.23 -34.86 13.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.5 mt -56.42 -35.32 67.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -52.73 -20.05 2.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.76 -1.64 14.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.563 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 54.8 m-70 -127.43 -23.91 3.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.14 -48.2 21.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.458 ' HG3' ' N ' ' A' ' 38' ' ' THR . 0.4 OUTLIER -109.4 -35.73 6.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.458 ' N ' ' HG3' ' A' ' 37' ' ' ARG . 88.2 m -81.31 134.47 35.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -75.17 140.88 73.56 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.608 0.718 . . . . 0.0 110.858 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 176.84 6.25 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.699 2.266 . . . . 0.0 112.381 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.6 p -74.94 -45.57 41.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.844 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -167.06 -179.7 40.25 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.525 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 131.56 21.55 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.684 2.256 . . . . 0.0 112.321 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.6 m -129.67 41.87 3.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 68.0 m -108.52 122.36 46.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.108 -0.829 . . . . 0.0 112.504 -179.972 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t -105.14 87.93 2.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.845 0.355 . . . . 0.0 110.835 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.5 m -94.24 161.42 14.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.61 88.38 0.52 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.523 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.3 p -106.83 150.7 26.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.863 0.363 . . . . 0.0 110.847 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -115.09 97.82 6.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.852 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.72 162.84 12.99 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.451 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.7 p -48.64 139.02 9.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.814 0.34 . . . . 0.0 111.143 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -174.75 52.45 0.14 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.513 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -136.12 161.33 36.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.886 0.374 . . . . 0.0 110.849 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.415 ' HG3' ' CG ' ' A' ' 21' ' ' ASN . 40.5 mmtt -120.32 130.49 24.82 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.578 0.704 . . . . 0.0 110.926 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -45.84 1.44 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.693 2.262 . . . . 0.0 112.325 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 25' ' ' SER . 78.4 m-85 -109.04 151.37 26.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -145.41 153.45 41.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.9 t -84.64 125.14 32.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.19 5.64 33.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.907 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.421 ' HB2' ' NE2' ' A' ' 35' ' ' HIS . 4.2 mm-40 -99.74 -53.05 3.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.949 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.0 p -119.88 -23.52 6.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.5 -12.25 25.74 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.483 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.566 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 22.4 mmm -43.92 128.81 5.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.793 0.33 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.415 ' CG ' ' HG3' ' A' ' 11' ' ' LYS . 1.4 p-10 -97.49 159.0 15.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.413 ' CD1' ' C ' ' A' ' 21' ' ' ASN . 88.3 m-85 -152.72 141.47 21.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.563 ' C ' ' CD1' ' A' ' 24' ' ' TRP . 1.3 t -86.44 29.68 0.76 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.814 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.563 ' CD1' ' C ' ' A' ' 23' ' ' SER . 1.7 m95 -163.52 145.35 9.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 71.7 p -68.31 -36.31 79.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.865 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 27' ' ' SER . 60.9 m -75.88 -55.01 6.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.836 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 26' ' ' CYS . 16.3 m -37.1 -55.01 0.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.4 tp -51.68 -47.73 63.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -48.97 -51.16 32.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.4 ttmm -52.42 -21.61 3.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.566 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 16.7 t60 -95.96 -43.27 7.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.87 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.3 mt -47.06 -33.98 5.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.469 ' HD3' ' N ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -51.71 -35.71 44.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.469 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 23.2 m -50.38 -17.98 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.421 ' NE2' ' HB2' ' A' ' 17' ' ' GLU . 55.6 m-70 -106.26 -27.56 10.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -66.79 -34.11 77.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.422 ' HD2' ' C ' ' A' ' 37' ' ' ARG . 5.4 ppt_? -78.95 -35.33 43.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.846 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 74.0 m -45.94 134.72 7.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.418 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 6.2 t70 -104.07 141.58 22.81 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.589 0.709 . . . . 0.0 110.878 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.418 ' HD2' ' CG ' ' A' ' 39' ' ' ASP . 53.8 Cg_endo -69.79 99.35 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.682 2.255 . . . . 0.0 112.374 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.5 p -137.09 161.53 35.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.83 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 150.37 174.44 21.52 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.478 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 144.39 53.9 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.666 2.244 . . . . 0.0 112.37 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.1 t -108.37 85.61 2.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 64.7 p -165.0 110.31 0.93 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.882 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.452 -179.967 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m 54.09 42.07 31.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.891 0.377 . . . . 0.0 110.884 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.4 p -97.77 134.91 40.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.27 48.66 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.475 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.3 p -83.46 152.37 25.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.866 0.365 . . . . 0.0 110.861 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.8 m -70.84 -45.4 64.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.27 78.56 0.96 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.449 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.3 t -70.9 -19.75 62.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.812 0.339 . . . . 0.0 111.13 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -144.6 177.05 23.4 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.465 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.402 ' H ' ' CD ' ' A' ' 10' ' ' GLU . 3.3 pm0 -86.27 172.94 10.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.891 0.377 . . . . 0.0 110.911 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -148.01 128.15 6.7 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.631 0.729 . . . . 0.0 110.845 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -49.13 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.651 2.234 . . . . 0.0 112.349 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.48 ' CD2' ' O ' ' A' ' 24' ' ' TRP . 76.5 m-85 -100.09 143.23 30.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -144.22 163.73 32.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.5 t -93.94 128.18 40.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.7 mmmt -87.52 7.62 28.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.555 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 31.2 mm-40 -103.18 -55.4 2.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.9 p -116.33 -22.68 8.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.926 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.98 8.42 36.52 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.521 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.463 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 13.6 mmm -61.65 130.43 45.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.795 0.331 . . . . 0.0 110.895 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.8 p30 -97.23 150.21 21.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.463 ' CE1' ' HB3' ' A' ' 20' ' ' MET . 28.1 m-85 -142.05 141.06 32.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.453 ' C ' ' CG ' ' A' ' 24' ' ' TRP . 4.3 t -85.32 33.63 0.56 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.871 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.48 ' O ' ' CD2' ' A' ' 13' ' ' PHE . 8.2 m95 -158.23 -177.22 6.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.946 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.0 p -107.06 -54.81 2.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 29' ' ' PHE . 72.8 m -63.82 -58.16 7.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.837 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 26' ' ' CYS . 26.8 m -34.29 -59.72 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.419 HD13 ' CD1' ' A' ' 22' ' ' PHE . 16.3 tp -42.57 -44.05 4.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 26' ' ' CYS . 12.3 t80 -53.66 -39.47 65.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt -61.26 -29.63 69.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -88.14 -40.79 13.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.6 mt -52.64 -39.55 61.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.8 ppt_? -52.19 -31.65 32.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.7 t -52.64 -18.32 1.72 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.555 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 63.6 m-70 -104.53 -28.44 11.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -68.89 -34.21 75.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -138.92 132.18 29.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 92.4 m -142.26 147.71 36.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -125.06 154.69 71.46 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.576 0.703 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 1.42 4.43 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.698 2.265 . . . . 0.0 112.316 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.2 m -67.9 105.04 1.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 74.39 153.28 3.13 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.492 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.84 -165.41 0.15 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.665 2.244 . . . . 0.0 112.327 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 t -53.46 144.29 17.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.841 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 45.4 t -60.69 117.74 5.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 119.134 -0.814 . . . . 0.0 112.499 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.6 p -57.61 142.52 44.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.844 0.355 . . . . 0.0 110.875 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.0 t -125.93 90.5 3.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.852 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.66 164.5 28.22 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.451 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.2 p -66.2 136.5 55.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.924 0.392 . . . . 0.0 110.83 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.3 p -144.24 136.77 26.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.855 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.55 127.69 4.0 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.5 t -113.31 -23.59 9.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.813 0.34 . . . . 0.0 111.124 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -171.8 -111.93 0.27 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.478 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.37 158.42 19.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.874 0.368 . . . . 0.0 110.925 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -143.03 139.16 16.48 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.57 0.7 . . . . 0.0 110.927 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -47.87 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.698 2.265 . . . . 0.0 112.346 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.577 ' CZ ' ' HB3' ' A' ' 25' ' ' SER . 31.3 m-85 -103.52 144.31 31.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -145.25 156.04 43.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.8 t -86.07 143.31 28.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -99.62 -1.76 37.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.573 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 38.8 mm-40 -94.71 -57.01 2.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.9 p -113.85 -24.25 9.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.4 8.54 35.3 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.494 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.516 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 10.3 mmm -62.57 130.36 44.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.783 0.325 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.506 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 27.2 p30 -97.87 152.93 18.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.516 ' CE1' ' HB3' ' A' ' 20' ' ' MET . 12.9 m-85 -145.75 125.33 13.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.852 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.4 m -50.71 -48.76 58.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.5 m95 -79.32 170.47 16.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 82.5 p -88.56 -60.49 1.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 27' ' ' SER . 73.9 m -58.25 -46.82 85.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 26' ' ' CYS . 87.6 p -36.11 -45.2 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.5 tp -60.96 -49.76 76.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.964 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' A' ' 26' ' ' CYS . 4.2 t80 -49.54 -41.15 40.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.1 ttmt -60.33 -29.58 68.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -86.42 -42.67 13.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.432 HD23 ' HG2' ' A' ' 17' ' ' GLU . 11.8 mt -47.03 -38.04 10.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.413 ' C ' ' HD3' ' A' ' 33' ' ' ARG . 0.6 OUTLIER -54.57 -35.44 63.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.2 m -48.6 -21.23 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.573 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 51.9 m-70 -100.79 -27.84 13.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -75.16 -35.54 61.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.12 104.96 13.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 97.3 m -156.03 144.25 19.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -124.93 151.99 69.47 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.57 0.7 . . . . 0.0 110.854 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 128.85 16.56 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.628 2.219 . . . . 0.0 112.312 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.8 m -93.65 135.94 34.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.14 159.64 18.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.499 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 87.31 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.692 2.261 . . . . 0.0 112.344 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.0 m -131.34 80.61 1.94 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 t -172.54 118.78 0.37 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.498 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.5 m -98.2 100.28 11.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.838 0.351 . . . . 0.0 110.834 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.5 p -117.31 42.3 2.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.16 109.79 3.41 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.499 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.4 t -62.34 177.88 0.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 0.0 110.846 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 m -119.6 127.45 52.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.46 121.02 7.03 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.47 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.6 t -82.19 166.58 19.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.811 0.338 . . . . 0.0 111.155 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 178.75 174.92 45.39 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.487 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -108.37 148.47 30.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.884 0.373 . . . . 0.0 110.906 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -144.53 122.18 6.58 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.573 0.701 . . . . 0.0 110.852 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.408 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.8 -44.89 1.79 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.688 2.259 . . . . 0.0 112.343 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.568 ' CD2' ' O ' ' A' ' 24' ' ' TRP . 31.8 m-85 -103.51 151.01 23.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.847 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -152.58 160.8 43.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 20' ' ' MET . 1.8 t -93.19 112.56 24.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.8 mmmt -71.72 1.07 7.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.417 ' HB2' ' NE2' ' A' ' 35' ' ' HIS . 7.9 mm-40 -94.82 -52.93 4.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.3 p -119.23 -22.55 7.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 105.55 5.65 39.2 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.502 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.456 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 19.8 mmm -58.39 131.98 52.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.792 0.33 . . . . 0.0 110.855 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -95.6 147.22 23.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.456 ' CE1' ' HB3' ' A' ' 20' ' ' MET . 62.8 m-85 -140.81 123.37 16.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.7 m -55.63 -44.63 77.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.568 ' O ' ' CD2' ' A' ' 13' ' ' PHE . 3.9 m95 -81.91 -175.23 5.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.944 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.477 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 52.5 p -107.47 -39.44 5.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.867 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 29' ' ' PHE . 88.5 m -77.54 -51.98 9.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 26' ' ' CYS . 4.0 t -35.13 -43.06 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.404 HD13 ' CD1' ' A' ' 22' ' ' PHE . 16.2 tp -55.02 -48.11 73.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.892 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.448 ' N ' ' O ' ' A' ' 26' ' ' CYS . 17.6 t80 -50.69 -44.83 57.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.4 ttmt -56.78 -27.06 59.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -90.9 -40.65 11.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.7 mt -49.88 -37.03 29.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.409 ' HD3' ' C ' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -50.95 -32.79 22.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 63.6 p -51.41 -20.23 1.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.417 ' NE2' ' HB2' ' A' ' 17' ' ' GLU . 69.6 m-70 -103.11 -28.81 11.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.853 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -68.01 -30.7 70.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.5 tpt180 -102.23 95.43 6.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 90.7 m -99.04 144.43 28.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.186 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.43 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 2.2 t70 -111.17 140.8 23.22 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.541 0.686 . . . . 0.0 110.853 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.43 ' HD2' ' CG ' ' A' ' 39' ' ' ASP . 53.9 Cg_endo -69.72 106.38 1.64 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.7 2.267 . . . . 0.0 112.367 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 m -164.28 167.36 19.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -93.91 162.82 25.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.49 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 146.92 61.45 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.704 2.269 . . . . 0.0 112.312 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.7 t -78.6 82.4 4.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 89.3 p 37.77 43.64 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.825 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.172 -0.793 . . . . 0.0 112.52 179.959 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.7 m -107.01 119.78 40.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.908 0.385 . . . . 0.0 110.802 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.3 p -109.74 82.1 1.54 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.874 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.37 69.35 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.544 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t -138.25 133.73 33.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.913 0.387 . . . . 0.0 110.859 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.5 t -163.07 147.79 11.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.837 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.38 -156.43 15.63 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.508 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.1 t -134.21 139.71 45.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.835 0.35 . . . . 0.0 111.124 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -141.26 63.73 0.52 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.525 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -117.65 152.91 34.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.859 0.361 . . . . 0.0 110.877 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.2 mmtm -144.0 138.15 14.78 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.632 0.729 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -45.94 1.38 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.679 2.253 . . . . 0.0 112.369 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 25' ' ' SER . 79.4 m-85 -111.92 139.31 47.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -135.66 153.96 51.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.426 ' N ' ' O ' ' A' ' 20' ' ' MET . 12.5 t -84.0 135.55 34.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.02 6.44 47.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.473 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 15.2 mm-40 -102.96 -54.26 2.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -118.78 -22.54 7.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.822 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.33 -6.48 30.28 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.548 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 29.7 mmm -48.81 129.03 16.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.756 0.312 . . . . 0.0 110.887 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.41 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 46.1 m-80 -105.77 150.12 25.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.41 ' CD1' ' C ' ' A' ' 21' ' ' ASN . 9.8 m-85 -139.11 149.45 44.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.439 ' OG ' ' CD1' ' A' ' 24' ' ' TRP . 50.3 p -79.3 -26.47 42.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.439 ' CD1' ' OG ' ' A' ' 23' ' ' SER . 1.2 m95 -107.65 132.99 52.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.913 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 94.9 p -53.72 -53.65 49.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.872 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 27' ' ' SER . 61.7 m -57.51 -53.51 57.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 26' ' ' CYS . 2.7 m -35.0 -63.84 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.7 tp -40.41 -49.51 2.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -49.2 -49.97 40.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.2 ttmm -54.05 -22.36 10.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.548 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 12.3 t60 -94.73 -40.78 9.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.5 mt -51.74 -31.18 25.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.432 ' HD2' ' N ' ' A' ' 34' ' ' SER . 3.9 ppt_? -55.5 -39.63 70.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.432 ' N ' ' HD2' ' A' ' 33' ' ' ARG . 7.3 m -47.23 -20.17 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.473 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 63.9 m-70 -101.11 -29.69 12.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -68.24 -28.81 67.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.4 tpm_? -117.22 116.07 26.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 95.9 m -147.58 120.19 8.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.17 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.526 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -58.91 -58.03 22.54 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.594 0.712 . . . . 0.0 110.866 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 39' ' ' ASP . 54.2 Cg_endo -69.77 168.4 21.67 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.728 2.286 . . . . 0.0 112.313 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 84.1 p -106.18 131.54 53.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -93.29 -176.15 40.5 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.505 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -3.39 11.88 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.714 2.276 . . . . 0.0 112.348 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.1 t -75.39 85.55 2.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.5 m -95.46 102.04 13.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.162 -0.799 . . . . 0.0 112.513 179.994 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.1 p -155.76 155.68 33.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.903 0.382 . . . . 0.0 110.831 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.8 p -105.53 174.06 6.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.87 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.91 104.02 0.73 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.457 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.4 m -91.47 91.0 7.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.907 0.384 . . . . 0.0 110.878 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.8 t -54.33 114.49 1.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.02 -90.82 1.93 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.457 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.3 t -91.86 149.51 21.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.833 0.349 . . . . 0.0 111.119 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.52 60.98 0.19 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -69.33 164.69 22.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.971 0.415 . . . . 0.0 110.874 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.436 ' NZ ' ' HA ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -108.55 126.59 29.18 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.595 0.712 . . . . 0.0 110.875 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.77 -44.73 1.9 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.696 2.264 . . . . 0.0 112.382 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.539 ' CZ ' ' HB2' ' A' ' 25' ' ' SER . 82.0 m-85 -113.62 155.23 25.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -149.51 159.82 43.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.423 ' N ' ' O ' ' A' ' 20' ' ' MET . 7.0 t -87.07 138.2 31.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.4 mmtp -97.05 5.18 50.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.548 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 23.4 mm-40 -101.69 -54.2 2.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -117.12 -22.94 8.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.64 6.18 35.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.492 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.548 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 26.5 mmm -56.97 130.01 44.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.76 0.314 . . . . 0.0 110.853 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.1 p30 -98.09 146.55 25.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.437 ' CE1' ' HB3' ' A' ' 20' ' ' MET . 48.2 m-85 -138.25 142.32 39.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.1 m -69.78 -46.6 65.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.6 m95 -82.7 -176.6 6.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.539 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 34.7 t -104.34 -36.73 7.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 27' ' ' SER . 79.1 m -78.02 -53.78 7.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 26' ' ' CYS . 3.4 t -34.74 -45.6 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.418 HD13 ' CD1' ' A' ' 22' ' ' PHE . 17.1 tp -51.86 -50.3 61.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.926 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.405 ' N ' ' O ' ' A' ' 26' ' ' CYS . 16.7 t80 -48.75 -45.43 39.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.0 ttmm -54.29 -28.52 42.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.548 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 10.4 t60 -91.53 -42.09 10.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.4 mt -50.71 -38.61 48.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.2 ppt_? -51.7 -32.09 28.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.9 t -53.43 -18.61 2.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.808 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.548 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 66.7 m-70 -104.58 -28.18 11.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.823 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -69.57 -33.28 72.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -83.25 -49.92 8.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 98.5 m -55.88 151.04 12.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -90.8 135.96 28.31 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.575 0.702 . . . . 0.0 110.875 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -174.04 0.83 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.71 2.273 . . . . 0.0 112.375 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 79.5 p -174.31 121.68 0.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.884 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -80.56 173.74 54.83 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.497 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.7 Cg_endo -69.75 -45.41 1.6 Allowed 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.704 2.27 . . . . 0.0 112.351 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 43' ' ' PRO . 81.6 p 35.82 42.67 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 44' ' ' SER . 93.3 p -37.19 118.01 0.58 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.859 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.477 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.3 m -71.39 -50.48 31.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.868 0.366 . . . . 0.0 110.885 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.8 m -80.64 153.27 28.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.53 -115.31 4.7 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.449 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 t -160.18 131.84 6.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.861 0.362 . . . . 0.0 110.9 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.7 m -119.76 42.2 2.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.86 159.17 8.04 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.5 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.535 HG23 ' O ' ' A' ' 8' ' ' THR . 6.9 t -141.08 110.96 6.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.855 0.36 . . . . 0.0 111.152 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -167.57 -122.5 0.61 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.464 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.427 ' C ' ' HE3' ' A' ' 11' ' ' LYS . 12.2 pt-20 -139.94 164.23 30.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.965 0.412 . . . . 0.0 110.891 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.427 ' HE3' ' C ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -91.16 120.43 68.53 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.57 0.7 . . . . 0.0 110.92 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -39.28 6.76 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.679 2.253 . . . . 0.0 112.345 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.433 ' CZ ' ' HB2' ' A' ' 25' ' ' SER . 69.9 m-85 -110.1 151.03 27.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.81 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -145.13 163.0 35.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.478 ' N ' ' O ' ' A' ' 20' ' ' MET . 4.0 t -92.88 114.62 27.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.0 mmtm -75.15 1.88 12.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.433 ' HB2' ' NE2' ' A' ' 35' ' ' HIS . 46.7 mm-40 -94.99 -51.24 4.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -123.93 -20.5 5.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.98 -0.76 33.64 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.478 ' O ' ' N ' ' A' ' 15' ' ' CYS . 16.8 mmm -51.95 131.13 31.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 0.0 110.855 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -96.99 149.32 22.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.452 ' CE1' ' HB3' ' A' ' 20' ' ' MET . 79.4 m-85 -143.43 126.15 16.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 78.1 p -56.39 -49.63 73.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -83.55 169.23 15.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.433 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 35.4 t -85.15 -60.95 1.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 27' ' ' SER . 93.2 m -54.53 -48.76 71.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 26' ' ' CYS . 73.9 m -34.64 -55.0 0.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.826 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.6 tp -47.06 -50.57 19.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -48.88 -47.24 43.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -54.01 -27.27 30.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -91.87 -39.42 11.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.5 mt -49.8 -39.24 37.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.2 ppt_? -52.03 -32.78 35.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.5 t -54.46 -14.64 1.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.433 ' NE2' ' HB2' ' A' ' 17' ' ' GLU . 90.5 m-70 -103.32 -31.19 10.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -69.78 -20.99 63.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 38.0 ttt180 -132.05 152.0 51.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.5 m -148.75 132.04 16.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -85.73 152.54 57.04 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.601 0.715 . . . . 0.0 110.826 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -2.61 10.46 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.637 2.225 . . . . 0.0 112.328 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.7 p -125.75 158.57 34.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.72 162.88 44.6 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.463 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 115.21 3.98 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.685 2.257 . . . . 0.0 112.342 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 81.6 p -41.5 155.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.3 p -75.8 122.9 24.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 CA-C-O 119.187 -0.785 . . . . 0.0 112.491 -179.948 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t -80.04 118.68 21.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.856 0.36 . . . . 0.0 110.829 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.6 p -152.81 171.48 18.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.852 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 47.48 42.99 20.08 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.516 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.9 t -139.68 146.94 40.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.844 0.354 . . . . 0.0 110.901 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.7 p -59.59 -44.48 93.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.2 135.02 1.91 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.4 t -62.47 164.65 7.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.825 0.345 . . . . 0.0 111.158 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 119.13 -146.25 18.26 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.512 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -149.26 164.53 34.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.953 0.406 . . . . 0.0 110.865 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.4 mmtm -144.95 140.24 16.01 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.616 0.722 . . . . 0.0 110.842 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 -49.96 0.5 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.631 2.22 . . . . 0.0 112.36 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.563 ' CZ ' ' HB2' ' A' ' 25' ' ' SER . 41.1 m-85 -97.29 142.09 29.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -142.11 153.36 44.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.928 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.41 ' N ' ' O ' ' A' ' 20' ' ' MET . 12.1 t -81.62 132.42 35.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.88 7.41 42.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.483 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 3.7 mm-40 -103.83 -49.39 3.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -124.26 -22.5 4.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.74 -7.62 29.77 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.454 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.566 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 33.1 mmm -47.76 129.6 14.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.805 0.336 . . . . 0.0 110.867 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.512 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 0.8 OUTLIER -99.27 160.82 14.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.512 ' CD1' ' C ' ' A' ' 21' ' ' ASN . 59.0 m-85 -154.43 114.45 3.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.1 t -43.85 -38.19 3.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 3.0 m95 -91.43 169.0 11.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 43.0 t -89.44 -51.62 5.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 27' ' ' SER . 86.1 m -62.25 -50.93 69.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 26' ' ' CYS . 15.1 m -36.25 -55.86 0.78 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.735 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 tp -50.06 -49.15 52.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.897 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -47.48 -51.01 21.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.3 ttmm -53.79 -25.6 19.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.566 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 15.5 t60 -90.33 -39.07 12.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.407 HD23 ' HG2' ' A' ' 17' ' ' GLU . 9.4 mt -53.08 -39.58 63.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.46 ' HD2' ' N ' ' A' ' 34' ' ' SER . 8.3 ppt_? -50.53 -37.85 41.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.46 ' N ' ' HD2' ' A' ' 33' ' ' ARG . 52.9 p -44.18 -22.51 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.483 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 35.4 m-70 -101.82 -29.03 12.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 33' ' ' ARG . 4.8 pt-20 -66.32 -27.68 68.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.0 ptt180 -94.5 146.96 23.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 89.0 m -141.04 115.1 9.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.497 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 4.1 m-20 -64.21 -60.17 9.33 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.642 0.735 . . . . 0.0 110.862 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 39' ' ' ASP . 54.0 Cg_endo -69.75 107.45 1.86 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.669 2.246 . . . . 0.0 112.323 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.9 t -76.85 91.58 3.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -169.58 165.05 38.51 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.489 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 106.36 1.66 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.694 2.263 . . . . 0.0 112.335 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 36.8 p -119.28 95.43 4.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.2 m -107.69 102.13 11.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.105 -0.83 . . . . 0.0 112.485 -179.992 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.9 p -46.62 135.5 8.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.873 0.368 . . . . 0.0 110.875 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.6 t -51.97 139.09 23.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.45 62.46 0.48 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.488 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.3 t -92.64 -53.45 4.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.893 0.377 . . . . 0.0 110.852 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.3 p -95.86 128.96 43.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.877 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.38 -153.63 6.78 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.451 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.0 t -108.55 -18.57 13.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.833 0.349 . . . . 0.0 111.115 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 138.91 -143.02 13.57 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.498 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -106.27 176.62 5.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.893 0.377 . . . . 0.0 110.914 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.463 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -127.83 95.38 34.82 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.551 0.691 . . . . 0.0 110.97 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -32.69 18.31 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.641 2.227 . . . . 0.0 112.376 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -108.33 144.71 35.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -140.25 157.82 44.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.1 t -86.62 133.89 33.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -94.6 6.96 47.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.416 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 2.8 mm-40 -103.09 -48.38 4.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.7 p -122.65 -22.7 5.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.09 7.23 38.46 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.504 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.454 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 14.3 mmm -58.47 129.63 42.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.798 0.333 . . . . 0.0 110.881 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -95.08 143.2 26.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.453 ' CE1' ' HB3' ' A' ' 20' ' ' MET . 76.9 m-85 -136.74 145.58 44.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 45.3 t -75.6 -51.26 13.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -82.95 170.91 14.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.0 t -85.84 -55.86 3.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 26.2 p -61.39 -37.28 82.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.913 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.7 m -45.77 -50.44 13.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.3 tp -53.15 -52.5 58.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -46.36 -45.51 17.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.8 ttpp -54.42 -30.15 51.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.454 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 14.7 t60 -89.6 -42.5 11.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.832 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.9 mt -48.28 -38.85 19.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.946 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.412 ' HD3' ' C ' ' A' ' 33' ' ' ARG . 0.6 OUTLIER -51.84 -32.36 31.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 67.4 m -54.95 -14.29 1.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.416 ' CE1' ' HB2' ' A' ' 17' ' ' GLU . 78.5 m-70 -106.05 -29.73 9.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -70.32 -25.4 63.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.2 ttm105 -71.04 -60.97 1.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 95.5 m -46.12 150.41 0.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -123.62 143.92 43.0 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.578 0.704 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 93.82 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.681 2.254 . . . . 0.0 112.34 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.9 m -124.69 170.24 11.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.5 170.89 12.57 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.458 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 97.17 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.679 2.253 . . . . 0.0 112.358 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 45' ' ' SER . 49.6 p -146.71 133.54 20.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 44' ' ' SER . 1.7 t 35.76 42.06 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.494 -179.961 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.9 p -88.83 -31.44 18.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 0.0 110.848 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.5 p -173.66 164.98 4.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.6 -137.71 3.07 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.1 t -133.73 152.92 52.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.872 0.368 . . . . 0.0 110.894 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.2 t -131.76 114.06 14.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.19 149.84 21.56 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.453 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.2 t -168.34 157.74 9.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.802 0.334 . . . . 0.0 111.139 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -84.11 -167.51 42.49 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.461 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.419 ' C ' ' HE2' ' A' ' 11' ' ' LYS . 0.4 OUTLIER -80.3 143.9 33.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.859 0.361 . . . . 0.0 110.866 -179.846 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.425 ' NZ ' ' HA ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -108.34 92.38 9.67 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.61 0.719 . . . . 0.0 110.851 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.543 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.82 -38.33 7.83 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.694 2.262 . . . . 0.0 112.339 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.577 ' CZ ' ' HB3' ' A' ' 25' ' ' SER . 42.8 m-85 -98.88 148.42 23.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -147.74 155.67 41.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.0 t -88.59 121.71 31.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.8 mmmm -82.22 7.23 14.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.435 ' HG3' ' CD2' ' A' ' 35' ' ' HIS . 2.6 mm-40 -102.03 -54.55 2.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.87 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.9 p -116.43 -23.17 8.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.67 3.42 37.23 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.46 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.56 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 32.3 mmm -54.73 129.56 37.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.85 0.357 . . . . 0.0 110.845 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.442 ' OD1' ' C ' ' A' ' 21' ' ' ASN . 12.7 p30 -94.15 152.63 18.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.542 ' CE1' ' HB3' ' A' ' 20' ' ' MET . 62.7 m-85 -148.97 137.62 21.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 92.2 p -71.91 -49.76 35.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.561 ' O ' ' CD2' ' A' ' 13' ' ' PHE . 2.1 m95 -77.46 -179.88 6.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 77.6 p -97.7 -58.9 1.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.886 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 27' ' ' SER . 73.3 m -58.05 -46.59 85.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 26' ' ' CYS . 68.1 m -37.45 -55.16 1.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.432 HD13 ' CD1' ' A' ' 22' ' ' PHE . 15.2 tp -49.03 -51.48 30.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.909 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -48.27 -46.04 35.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.901 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -55.11 -26.84 40.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.56 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 12.5 t60 -91.81 -41.15 10.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.3 mt -52.22 -36.26 51.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.963 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.407 ' HD2' ' C ' ' A' ' 33' ' ' ARG . 6.7 ppt_? -53.14 -28.24 24.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.1 m -59.37 -13.34 8.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.435 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 71.9 m-70 -108.39 -27.84 9.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.838 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -70.41 -33.19 71.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.857 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.0 ttt85 -89.82 -57.5 2.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 90.9 m -104.47 149.34 25.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.112 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -85.34 135.17 39.2 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.584 0.707 . . . . 0.0 110.916 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 150.0 67.55 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.705 2.27 . . . . 0.0 112.337 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 t -136.48 119.1 15.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 120.94 176.3 15.42 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.526 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 155.03 67.05 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.721 2.281 . . . . 0.0 112.312 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.7 p -133.65 119.02 18.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.0 m -68.85 130.05 41.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.503 -179.964 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.7 t -94.18 43.21 1.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.899 0.381 . . . . 0.0 110.919 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.7 p -38.35 -40.77 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.874 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.34 92.59 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.486 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m -55.62 -58.61 7.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.874 0.369 . . . . 0.0 110.846 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.3 p -147.35 133.8 19.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.91 -142.52 8.91 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.507 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.3 t -152.63 145.06 24.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.817 0.341 . . . . 0.0 111.119 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.58 48.67 2.92 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.445 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -68.61 153.64 43.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.881 0.372 . . . . 0.0 110.879 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.401 ' CB ' ' HB2' ' A' ' 21' ' ' ASN . 26.9 mmtp -97.89 119.61 61.92 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.582 0.706 . . . . 0.0 110.888 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -49.56 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.309 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.555 ' CZ ' ' HB2' ' A' ' 25' ' ' SER . 74.9 m-85 -91.62 155.77 18.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -147.74 157.46 43.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.916 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.418 ' N ' ' O ' ' A' ' 20' ' ' MET . 6.0 t -87.74 122.84 31.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -82.57 4.44 24.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.545 ' CG ' HD23 ' A' ' 32' ' ' LEU . 3.3 mm-40 -98.37 -58.51 1.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -115.36 -21.86 9.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.49 -10.82 28.31 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.501 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.536 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 14.3 mmm -43.81 130.65 5.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.769 0.319 . . . . 0.0 110.856 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.465 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 0.5 OUTLIER -100.59 156.11 17.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.465 ' CD1' ' C ' ' A' ' 21' ' ' ASN . 35.1 m-85 -147.09 145.18 29.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.574 ' C ' ' CG ' ' A' ' 24' ' ' TRP . 10.7 t -86.4 34.23 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.574 ' CG ' ' C ' ' A' ' 23' ' ' SER . 1.0 OUTLIER -163.92 174.97 10.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.929 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.555 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 31.3 t -96.23 -38.66 10.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 27' ' ' SER . 60.9 m -76.34 -55.05 5.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 26' ' ' CYS . 62.5 m -35.59 -56.59 0.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.1 tp -48.49 -49.68 34.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.929 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -48.75 -51.21 30.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.1 ttpp -52.59 -22.96 5.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.536 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 11.5 t60 -94.54 -40.73 9.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.545 HD23 ' CG ' ' A' ' 17' ' ' GLU . 7.1 mt -52.3 -33.7 43.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.464 ' HD3' ' N ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -52.33 -38.39 58.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.464 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 14.9 m -47.38 -19.96 0.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 -179.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.466 ' CD2' ' HG3' ' A' ' 17' ' ' GLU . 57.8 m-70 -101.81 -29.96 11.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -68.38 -28.89 67.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.5 tpp180 -116.01 97.78 6.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 83.0 m -148.44 124.6 10.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.157 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.511 ' N ' ' HD2' ' A' ' 40' ' ' PRO . 0.1 OUTLIER -67.86 -59.0 7.15 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.536 0.684 . . . . 0.0 110.834 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 39' ' ' ASP . 53.5 Cg_endo -69.81 -169.32 0.32 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.656 2.238 . . . . 0.0 112.342 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.8 p -99.26 -18.19 17.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 127.18 161.57 10.89 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.52 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 150.52 68.27 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.637 2.225 . . . . 0.0 112.346 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 73.4 p -47.5 121.8 4.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.8 m -171.81 146.85 2.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.864 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.457 -179.967 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.7 p 39.81 42.21 0.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.871 0.367 . . . . 0.0 110.833 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 m -51.0 -60.8 2.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.82 143.51 3.69 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.48 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.0 m -75.79 -46.29 31.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.88 0.371 . . . . 0.0 110.849 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 t -79.07 91.51 4.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.814 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.77 95.02 0.17 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.487 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.8 t -100.24 -19.29 16.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.787 0.327 . . . . 0.0 111.149 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -136.59 139.63 10.8 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.48 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -81.88 148.42 28.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.856 0.36 . . . . 0.0 110.9 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm -101.83 113.11 65.93 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.636 0.731 . . . . 0.0 110.891 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -46.67 1.14 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.762 2.308 . . . . 0.0 112.288 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.459 ' CZ ' ' OG ' ' A' ' 25' ' ' SER . 93.6 m-85 -92.53 153.46 19.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -149.22 158.9 44.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.453 ' N ' ' O ' ' A' ' 20' ' ' MET . 2.2 t -91.66 113.28 25.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.4 mmmm -74.03 1.16 11.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.431 ' HB2' ' NE2' ' A' ' 35' ' ' HIS . 3.6 mm-40 -94.09 -53.52 3.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -119.96 -21.86 6.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.53 1.78 35.01 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.565 ' HG3' ' CE1' ' A' ' 31' ' ' HIS . 28.8 mmm -55.0 129.71 38.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.743 0.306 . . . . 0.0 110.877 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -96.08 150.51 20.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.438 ' CE1' ' HB3' ' A' ' 20' ' ' MET . 80.7 m-85 -144.43 134.19 23.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 t -65.38 -49.17 70.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.7 m95 -77.37 -179.06 5.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.459 ' OG ' ' CZ ' ' A' ' 13' ' ' PHE . 7.7 m -97.92 -58.76 1.91 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 27' ' ' SER . 26.3 p -62.31 -45.54 92.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 26' ' ' CYS . 55.8 m -35.26 -48.54 0.46 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.5 tp -52.6 -50.92 62.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -47.02 -46.9 22.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -53.97 -29.19 41.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.942 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.565 ' CE1' ' HG3' ' A' ' 20' ' ' MET . 14.5 t60 -90.04 -40.07 12.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.1 mt -49.27 -40.74 35.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.445 ' HD2' ' N ' ' A' ' 34' ' ' SER . 4.6 ppt_? -48.85 -37.56 19.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.445 ' N ' ' HD2' ' A' ' 33' ' ' ARG . 59.8 p -44.88 -22.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.431 ' NE2' ' HB2' ' A' ' 17' ' ' GLU . 71.2 m-70 -99.63 -29.54 12.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 33' ' ' ARG . 6.8 pt-20 -68.15 -31.29 70.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 38' ' ' THR . 10.1 tpt180 -63.93 160.69 17.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.45 ' C ' ' O ' ' A' ' 37' ' ' ARG . 53.5 m -33.33 127.86 0.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.164 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -73.36 143.03 82.35 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.576 0.703 . . . . 0.0 110.895 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 153.24 69.0 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.692 2.261 . . . . 0.0 112.305 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.4 t -101.36 43.78 1.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -117.07 177.38 16.65 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.453 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 138.55 38.07 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.628 2.219 . . . . 0.0 112.361 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.3 m -67.48 105.16 1.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.6 p -134.19 111.2 10.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.845 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.187 -0.785 . . . . 0.0 112.474 179.986 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.9 p -115.69 174.19 6.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.902 0.382 . . . . 0.0 110.824 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.2 m -131.72 -45.59 0.97 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.875 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.8 -126.21 1.54 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.3 m -125.15 -52.42 1.64 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.851 0.358 . . . . 0.0 110.82 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.7 p -140.37 130.19 24.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.11 132.28 2.54 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.485 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.0 t -164.6 149.51 9.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.816 0.341 . . . . 0.0 111.154 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 157.87 117.72 0.52 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -118.21 126.46 52.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.914 0.388 . . . . 0.0 110.838 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.467 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -129.54 141.29 41.3 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.577 0.703 . . . . 0.0 110.914 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -50.76 0.44 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.695 2.263 . . . . 0.0 112.322 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 25' ' ' SER . 50.0 m-85 -117.05 154.04 31.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -143.15 153.72 43.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 19' ' ' GLY . 2.0 t -89.64 113.08 24.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.8 mmmt -71.84 1.49 6.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.929 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.429 ' HB2' ' NE2' ' A' ' 35' ' ' HIS . 33.5 mm-40 -95.49 -48.53 5.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.5 p -124.8 -22.26 4.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.834 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 105.11 6.8 39.08 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.465 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 22.4 mmm -59.57 131.43 50.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.804 0.335 . . . . 0.0 110.883 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.431 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 1.4 p-10 -97.99 144.58 27.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.465 ' CE1' ' HB3' ' A' ' 20' ' ' MET . 71.5 m-85 -138.3 137.02 37.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.8 p -68.64 -41.74 78.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -88.91 159.77 17.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.969 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 20.2 p -76.64 -56.11 4.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.876 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 27' ' ' SER . 90.2 m -62.36 -46.56 88.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 26' ' ' CYS . 12.2 m -34.91 -50.05 0.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.803 -179.726 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.9 tp -54.04 -52.48 60.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -46.94 -46.79 21.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.9 ttmt -54.77 -28.54 49.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -90.14 -40.16 12.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.8 mt -48.01 -40.27 22.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.961 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.427 ' HD3' ' N ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -50.18 -34.9 24.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 179.899 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.427 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 91.5 p -49.4 -19.11 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.429 ' NE2' ' HB2' ' A' ' 17' ' ' GLU . 82.7 m-70 -102.06 -29.78 11.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -69.82 -21.5 63.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.433 ' HD2' ' C ' ' A' ' 37' ' ' ARG . 1.2 tmm_? -102.38 151.35 22.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 91.2 m -122.01 142.34 50.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.18 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -79.78 139.13 53.99 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.573 0.702 . . . . 0.0 110.904 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -11.77 31.56 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.713 2.276 . . . . 0.0 112.356 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.9 t -47.21 128.3 11.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.843 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 120.88 151.57 8.65 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.491 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -49.48 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.682 2.255 . . . . 0.0 112.334 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.0 m -107.21 143.13 35.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.855 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 88.9 p -116.53 129.11 56.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 CA-C-O 119.126 -0.819 . . . . 0.0 112.508 179.99 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_