data_2eme_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 2eme _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 ' 11' ' ' LYS . . . . . 0.4 ' HD2' ' CA ' ' A' ' 23' ' ' GLY . 34.0 mmtt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.554 0.692 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.454 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.8 Cg_endo -69.77 -22.49 31.98 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.71 2.273 . . . . 0.0 112.328 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.454 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 72.9 m-85 -106.09 82.53 1.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.404 ' CG2' ' O ' ' A' ' 20' ' ' LYS . 5.8 p -110.79 133.55 55.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.097 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.0 t -71.07 153.16 42.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -101.76 -39.36 7.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.414 ' HB3' ' NE2' ' A' ' 35' ' ' HIS . 1.2 t80 -43.67 -60.86 1.6 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.944 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.9 p -101.67 -44.86 5.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.71 37.57 1.27 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.463 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.543 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 31.9 tttt -90.49 150.73 21.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.759 0.314 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.76 136.9 44.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.112 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.543 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 18.7 m-85 -137.84 131.11 30.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.4 ' CA ' ' HD2' ' A' ' 11' ' ' LYS . . . -71.42 -40.55 59.99 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.481 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.8 tp -110.16 140.6 44.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.803 0.335 . . . . 0.0 110.927 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 88.3 p -52.31 -46.59 66.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.87 -44.62 29.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.1 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -63.5 -35.77 81.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.524 HD13 ' CD1' ' A' ' 22' ' ' PHE . 28.1 tp -70.49 -45.93 64.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.5 t -60.16 -58.52 6.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.099 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -51.97 -32.47 33.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.482 ' CE1' HD13 ' A' ' 34' ' ' ILE . 12.2 t60 -68.75 -54.05 18.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -40.01 -25.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 31' ' ' HIS . 84.3 mtt180 -47.29 -47.79 25.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.482 HD13 ' CE1' ' A' ' 31' ' ' HIS . 20.9 pt -50.04 -29.77 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.466 ' N ' HG13 ' A' ' 34' ' ' ILE . 58.5 m-70 -81.77 -28.64 33.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.6 p . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.146 -179.891 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.417 ' HD3' ' C ' ' A' ' 22' ' ' PHE . 54.9 mttm . . . . . 0 C--O 1.232 0.155 0 CA-C-O 121.559 0.695 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.558 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.4 Cg_endo -69.77 -37.85 8.58 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.709 2.272 . . . . 0.0 112.36 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.558 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 11.0 m-85 -92.15 104.38 16.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.8 p -135.99 122.16 30.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.102 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.9 t -68.32 134.66 50.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -88.89 -30.09 19.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.538 ' CE2' ' HB3' ' A' ' 35' ' ' HIS . 2.0 t80 -48.74 -51.6 28.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -112.79 -47.03 3.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.846 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.23 42.76 0.58 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.444 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.51 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 51.4 mttt -100.11 137.55 38.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.773 0.32 . . . . 0.0 110.909 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.96 151.19 20.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.094 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.465 ' N ' ' O ' ' A' ' 13' ' ' TYR . 78.8 m-85 -150.18 128.87 12.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.881 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.421 ' C ' HD12 ' A' ' 24' ' ' LEU . . . -80.99 9.49 53.03 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.421 HD12 ' C ' ' A' ' 23' ' ' GLY . 4.3 mp -142.46 158.29 43.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.869 0.366 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.477 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 20.6 t -78.26 -50.33 12.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.03 -39.38 71.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.141 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -55.9 -52.24 64.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.9 tp -60.51 -51.39 69.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.5 t -50.91 -59.43 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.179 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.1 mtp180 -51.22 -38.84 54.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.532 ' CE1' HD11 ' A' ' 34' ' ' ILE . 12.2 t60 -66.38 -51.43 57.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -38.92 -26.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 31' ' ' HIS . 25.7 mtt85 -49.25 -45.5 44.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.532 HD11 ' CE1' ' A' ' 31' ' ' HIS . 15.8 pt -51.43 -28.32 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.538 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 80.1 m-70 -92.63 24.0 3.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.6 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 -179.911 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.4 mmpt? . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.618 0.723 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.544 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.8 Cg_endo -69.8 -40.69 4.97 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.674 2.249 . . . . 0.0 112.352 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.544 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 40.7 m-85 -87.59 99.34 11.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.496 ' CG1' ' O ' ' A' ' 20' ' ' LYS . 98.1 t -114.12 114.57 47.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.103 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.1 t -46.75 133.13 10.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -98.16 8.35 44.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.408 ' HB3' ' CD2' ' A' ' 35' ' ' HIS . 4.2 t80 -98.13 -42.63 7.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.7 p -117.01 -46.74 2.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.42 47.22 0.47 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.474 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.496 ' O ' ' CG1' ' A' ' 14' ' ' VAL . 28.7 mttp -101.68 -175.05 2.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.772 0.32 . . . . 0.0 110.893 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.81 141.0 44.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -145.26 130.31 18.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.39 -21.38 79.64 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -117.63 142.03 47.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.82 0.343 . . . . 0.0 110.895 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.441 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 12.0 t -58.34 -58.41 8.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.75 -48.49 29.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.112 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -50.18 -36.09 28.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.826 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.8 tp -74.02 -46.05 45.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.7 t -58.37 -48.51 84.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.175 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -31.15 72.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.4 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 21.6 t60 -66.53 -41.85 88.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -60.54 -11.87 8.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -62.45 -28.13 69.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.834 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.8 pt -76.9 -20.46 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.408 ' CD2' ' HB3' ' A' ' 17' ' ' TYR . 19.8 m-70 -79.72 -23.04 42.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 45.3 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 -179.844 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.453 ' HD2' ' CA ' ' A' ' 23' ' ' GLY . 25.2 mmtt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.605 0.717 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.517 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.73 -44.45 2.09 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.648 2.232 . . . . 0.0 112.349 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.517 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 46.1 m-85 -85.53 95.95 9.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.93 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.405 ' CG2' ' O ' ' A' ' 20' ' ' LYS . 6.4 p -126.23 120.13 55.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.137 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.1 t -58.42 131.96 52.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -89.89 -19.99 23.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -63.36 -52.36 62.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -105.32 -47.68 3.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.836 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.96 33.34 1.16 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.498 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.405 ' O ' ' CG2' ' A' ' 14' ' ' VAL . 37.5 mttt -93.82 147.89 22.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.811 0.338 . . . . 0.0 110.904 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.5 143.84 31.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.147 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.438 ' N ' ' O ' ' A' ' 13' ' ' TYR . 50.4 m-85 -143.58 133.75 24.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.873 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.453 ' CA ' ' HD2' ' A' ' 11' ' ' LYS . . . -76.14 -34.49 46.53 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.9 tp -106.77 142.69 36.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.82 0.343 . . . . 0.0 110.891 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 26' ' ' ALA . 1.4 t -61.53 -63.62 1.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -35.75 -42.3 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -57.16 -51.77 68.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 42.0 tp -61.82 -55.91 24.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.4 t -48.47 -47.36 14.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.087 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -70.62 -25.75 63.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -72.86 -50.31 24.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.826 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -49.34 -19.36 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -56.94 -30.91 64.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.832 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.0 pt -67.95 -18.78 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 52.1 m-70 -90.81 -21.84 21.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 20.6 p . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.168 -179.928 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.545 0.688 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.502 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.72 -38.49 7.81 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.644 2.229 . . . . 0.0 112.34 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.502 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 28.0 m-85 -93.49 97.11 10.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.953 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.6 p -125.0 129.19 73.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.122 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.9 t -66.82 139.31 57.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.07 -25.07 18.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -58.18 -55.77 30.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -106.05 -46.64 4.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.85 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.89 35.26 1.16 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.516 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.514 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 17.5 ttmt -93.26 131.96 37.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.763 0.316 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.74 139.73 30.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.103 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.514 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 57.8 m-85 -137.1 133.48 35.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -76.06 -24.4 69.15 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.486 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 tt -115.88 136.77 52.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.861 0.362 . . . . 0.0 110.914 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.471 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 19.4 t -57.41 -56.05 26.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.31 -40.99 3.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.119 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -62.93 -39.36 94.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.7 tp -71.4 -45.07 63.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 99.8 t -62.72 -41.51 92.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.108 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -74.46 -32.14 62.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.484 ' O ' ' N ' ' A' ' 33' ' ' ARG . 10.2 t60 -63.4 -51.86 64.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -39.31 -25.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 31' ' ' HIS . 71.7 mtp85 -49.53 -49.1 47.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.5 pt -50.03 -20.17 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.189 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -91.64 -25.69 19.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 35.2 p . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 -179.895 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.437 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 7.5 mptt . . . . . 0 C--O 1.232 0.159 0 CA-C-O 121.572 0.701 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.547 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.73 -32.08 19.39 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.719 2.279 . . . . 0.0 112.342 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.547 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 29.9 m-85 -93.41 105.38 17.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.1 p -127.7 130.77 70.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.113 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.3 t -63.77 116.72 6.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -83.61 21.19 1.26 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.409 ' HB3' ' CD2' ' A' ' 35' ' ' HIS . 4.6 t80 -106.59 -52.11 2.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.6 p -112.66 -41.41 3.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.851 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.56 47.17 0.38 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 26.3 tttm -106.89 142.66 36.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.779 0.324 . . . . 0.0 110.931 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.0 149.45 23.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.146 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.561 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 34.2 m-85 -149.87 124.57 9.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.437 ' N ' ' HG2' ' A' ' 11' ' ' LYS . . . -82.52 27.48 3.7 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.477 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 28.5 tp -164.05 135.54 4.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.835 0.35 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.532 ' OG ' ' CE1' ' A' ' 13' ' ' TYR . 1.8 m -52.0 -52.06 53.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.91 -51.85 54.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.054 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -46.34 -37.9 8.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.6 tp -77.22 -47.79 19.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.2 t -53.76 -43.1 54.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.116 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.463 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 28.4 mtt-85 -71.06 -37.98 72.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 33' ' ' ARG . 54.6 t60 -64.63 -61.08 2.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.827 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -38.92 -25.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 31' ' ' HIS . 10.3 mmm180 -49.88 -48.22 51.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.0 pt -54.99 -18.65 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.409 ' CD2' ' HB3' ' A' ' 17' ' ' TYR . 44.5 m-70 -96.66 -27.2 14.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 67.1 p . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.124 -179.898 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.451 ' HE2' ' CA ' ' A' ' 23' ' ' GLY . 3.9 mmmm . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.586 0.708 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.506 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.1 Cg_endo -69.79 -37.96 8.4 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.656 2.237 . . . . 0.0 112.35 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.506 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 47.1 m-85 -91.24 132.37 36.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.91 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.3 t -146.84 123.79 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.413 ' SG ' ' N ' ' A' ' 16' ' ' ASP . 7.6 t -67.22 157.29 34.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.413 ' N ' ' SG ' ' A' ' 15' ' ' CYS . 1.9 p30 -105.45 -34.15 7.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.514 ' CE2' ' HB3' ' A' ' 35' ' ' HIS . 2.5 t80 -53.03 -58.37 7.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.3 p -103.16 -47.86 4.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.852 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.12 39.13 1.07 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.537 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.504 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 33.1 mttp -87.65 167.81 13.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.842 0.353 . . . . 0.0 110.878 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.42 127.82 50.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.067 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.428 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 70.6 m-85 -127.94 147.64 50.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.451 ' CA ' ' HE2' ' A' ' 11' ' ' LYS . . . -89.37 -28.45 19.8 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.46 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.3 tt -115.88 136.82 52.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.825 0.345 . . . . 0.0 110.877 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 79.7 p -50.97 -59.29 4.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -39.18 -52.38 1.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.062 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -49.84 -49.74 47.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.7 tp -58.52 -48.39 81.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 66.2 t -58.7 -49.75 81.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.155 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -67.12 -13.4 61.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.504 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 9.9 t60 -84.56 -59.14 2.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -41.25 -24.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.936 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 31' ' ' HIS . 27.2 mtt180 -49.0 -41.92 36.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.814 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.437 HD13 ' CE1' ' A' ' 35' ' ' HIS . 25.1 pt -54.77 -27.24 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.115 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.514 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 33.1 m-70 -83.12 -24.03 32.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.5 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.161 -179.908 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.1 mmtt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 121.58 0.705 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -50.29 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.642 2.228 . . . . 0.0 112.379 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -71.0 95.81 1.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.964 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 93.4 t -113.18 109.16 27.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.14 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.5 t -44.22 126.29 5.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -89.07 15.65 8.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.401 ' HB3' ' NE2' ' A' ' 35' ' ' HIS . 3.1 t80 -103.54 -57.31 2.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.951 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.6 p -110.93 -39.13 4.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.853 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.53 5.02 7.3 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.464 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.517 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 21.4 tttt -66.38 123.55 20.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.78 0.324 . . . . 0.0 110.871 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.42 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -85.05 161.66 19.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.42 ' CG ' ' O ' ' A' ' 21' ' ' ALA . 78.1 m-85 -157.49 138.59 13.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -82.63 -28.59 38.46 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.463 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -114.68 141.66 47.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.829 0.347 . . . . 0.0 110.932 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 37.8 p -55.41 -57.38 12.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.68 -43.9 6.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.087 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -56.48 -42.29 78.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.8 tp -69.27 -43.77 73.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 76.4 t -60.98 -47.19 94.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.085 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 -67.24 -22.49 65.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.517 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 16.2 t60 -76.43 -49.52 16.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.843 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -49.46 -19.18 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.958 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 46.6 mtt180 -50.81 -29.59 12.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.42 HG13 ' N ' ' A' ' 35' ' ' HIS . 19.1 pt -72.82 -27.48 25.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.42 ' N ' HG13 ' A' ' 34' ' ' ILE . 65.4 m-70 -84.97 22.66 1.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.821 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.4 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.166 -179.902 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 121.585 0.707 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.524 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.78 -47.88 0.83 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.7 2.266 . . . . 0.0 112.333 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.524 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 34.3 m-85 -78.85 107.83 11.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.4 p -130.62 140.61 48.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.123 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.6 t -84.75 151.84 24.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -99.76 -33.38 10.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -50.34 -60.56 2.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.954 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -106.35 -47.1 3.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.14 30.1 1.66 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.495 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.526 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 12.5 tttp -85.75 127.64 34.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.33 156.61 17.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.065 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.45 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 86.4 m-85 -153.02 133.47 13.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.833 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.92 -29.93 66.42 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.48 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 71.9 mt -106.83 150.3 26.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.793 0.33 . . . . 0.0 110.942 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.429 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 48.2 t -66.14 -58.79 4.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.8 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.82 -48.99 15.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -44.71 -47.09 10.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.8 tp -62.43 -51.49 67.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.4 t -49.58 -45.87 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.44 -27.61 65.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.526 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 10.6 t60 -70.92 -54.74 10.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -42.87 -23.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 31' ' ' HIS . 68.5 mtp85 -52.15 -40.59 61.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.56 HD12 ' CE1' ' A' ' 35' ' ' HIS . 5.9 pt -55.94 -16.9 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.56 ' CE1' HD12 ' A' ' 34' ' ' ILE . 41.6 m-70 -93.64 -25.68 17.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.4 p . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.188 -179.962 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.0 mttt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 121.587 0.708 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.497 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.77 -22.36 32.13 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.712 2.275 . . . . 0.0 112.31 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.497 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 83.8 m-85 -103.05 93.36 4.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.953 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 69.9 t -121.29 117.44 52.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.6 t -46.75 116.14 1.25 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -88.76 29.17 1.04 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.832 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.554 ' CE2' ' HB3' ' A' ' 35' ' ' HIS . 5.9 t80 -120.66 -48.27 2.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.934 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.0 p -119.99 -39.16 2.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.864 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.22 93.55 2.06 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.497 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.5 tttt -159.36 130.5 6.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.746 0.307 . . . . 0.0 110.974 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.67 145.8 26.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.103 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -134.99 -47.63 0.73 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.23 -10.16 74.16 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.5 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.4 tp -135.83 137.78 41.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.817 0.341 . . . . 0.0 110.906 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 81.7 p -59.59 -49.64 76.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.05 -49.6 60.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -60.07 -53.13 61.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.7 tp -54.69 -43.8 72.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.977 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 79.1 t -58.95 -51.34 73.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.113 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 48.9 mtp85 -60.11 -15.21 21.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.486 ' O ' ' CG2' ' A' ' 34' ' ' ILE . 39.6 t60 -93.16 -54.49 3.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -52.77 -35.78 57.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.0 ptt180 -46.42 -21.01 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.486 ' CG2' ' O ' ' A' ' 31' ' ' HIS . 7.6 pt -71.0 -38.37 71.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.554 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 84.4 m-70 -79.43 11.54 2.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.0 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.144 -179.901 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.2 mmtt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 121.606 0.717 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.487 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.5 Cg_endo -69.84 -35.87 11.64 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.694 2.263 . . . . 0.0 112.358 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.487 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 39.5 m-85 -95.06 97.16 9.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.4 p -113.03 135.29 52.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.149 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 39.8 t -67.33 124.85 24.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.61 29.26 1.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.541 ' CE2' ' HB3' ' A' ' 35' ' ' HIS . 2.0 t80 -117.59 -44.12 2.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.8 p -115.74 -46.55 2.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.98 36.59 0.7 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.493 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -104.0 147.64 27.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.826 0.346 . . . . 0.0 110.873 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.77 148.28 25.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.086 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.564 ' CE2' HD11 ' A' ' 28' ' ' LEU . 87.3 m-85 -138.55 127.28 23.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.96 -21.0 75.14 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.519 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 43.6 mt -123.64 146.6 48.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.813 0.339 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 63.3 p -61.49 -56.28 21.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.08 -42.48 60.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.098 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.406 ' OE1' ' N ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -54.17 -33.27 57.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.564 HD11 ' CE2' ' A' ' 22' ' ' PHE . 16.0 tp -76.93 -54.94 5.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.925 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.0 t -52.1 -43.22 37.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -67.17 -22.84 65.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.411 ' C ' ' N ' ' A' ' 33' ' ' ARG . 10.5 t60 -81.88 -48.7 11.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -45.54 -21.08 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.411 ' N ' ' C ' ' A' ' 31' ' ' HIS . 23.7 mtp85 -51.41 -41.44 60.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.8 pt -63.45 -18.72 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.541 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 42.4 m-70 -90.83 -15.42 30.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 71.5 p . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 -179.919 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.2 mmtp . . . . . 0 C--O 1.232 0.137 0 CA-C-O 121.569 0.7 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.557 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.78 -50.72 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.644 2.229 . . . . 0.0 112.381 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.557 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 28.4 m-85 -74.8 102.74 4.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 43.9 t -119.0 108.61 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.108 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.4 t -54.89 112.85 1.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -73.58 -15.49 61.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.489 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 3.1 t80 -65.2 -60.55 2.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.6 p -104.97 -34.17 8.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.13 37.62 2.29 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.491 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.457 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 27.1 mttm -95.0 172.23 8.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.799 0.333 . . . . 0.0 110.925 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.491 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -123.31 154.87 38.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.491 ' CG ' ' O ' ' A' ' 21' ' ' ALA . 59.6 m-85 -159.88 126.13 4.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.19 -37.81 81.85 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.467 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -98.48 130.59 45.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.846 0.355 . . . . 0.0 110.906 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.504 ' HB2' ' CZ ' ' A' ' 13' ' ' TYR . 14.5 t -49.75 -58.28 5.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -39.22 -57.28 1.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.117 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -39.29 -47.97 1.77 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.9 tp -63.98 -50.01 70.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.8 t -55.56 -40.79 60.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -80.33 -28.11 38.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.465 ' O ' ' N ' ' A' ' 33' ' ' ARG . 10.6 t60 -69.61 -57.21 5.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -40.36 -25.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 31' ' ' HIS . 30.3 mtp180 -50.43 -43.98 55.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.0 pt -50.15 -21.55 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.167 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.489 ' HB3' ' CZ ' ' A' ' 17' ' ' TYR . 48.8 m-70 -86.05 -28.83 23.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.822 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 36.5 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.097 -179.866 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 42.6 mmtt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 121.537 0.684 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.475 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.76 -37.01 9.74 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.646 2.231 . . . . 0.0 112.346 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.475 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 67.2 m-85 -89.67 118.33 29.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 97.5 t -122.48 126.2 73.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.156 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 52.2 t -63.36 114.13 3.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -81.3 42.38 0.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.559 ' CD1' ' CE1' ' A' ' 35' ' ' HIS . 4.2 t80 -134.56 -52.93 0.82 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.946 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.8 p -112.2 -43.9 3.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.32 52.69 0.28 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt -108.88 172.31 6.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.329 . . . . 0.0 110.917 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.36 148.22 48.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.446 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 48.1 m-85 -149.6 132.81 16.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.0 -36.58 46.18 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.463 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -102.34 142.54 33.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.797 0.332 . . . . 0.0 110.916 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.2 p -59.18 -44.39 92.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.02 -42.73 85.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.112 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -52.95 -44.48 67.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 44.3 tp -67.31 -43.83 80.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.1 t -60.55 -47.58 92.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.167 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.482 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 12.1 ptp180 -65.18 -39.08 92.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.482 ' O ' ' N ' ' A' ' 33' ' ' ARG . 12.3 t60 -61.0 -57.45 12.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.832 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 31' ' ' HIS . 44.1 mt-30 -36.31 -30.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.942 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.482 ' CG ' ' O ' ' A' ' 30' ' ' ARG . 2.2 mmp_? -46.69 -47.92 20.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.458 HG13 ' N ' ' A' ' 35' ' ' HIS . 29.8 pt -43.11 -33.66 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.559 ' CE1' ' CD1' ' A' ' 17' ' ' TYR . 92.4 m-70 -82.16 -28.93 31.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.477 ' N ' ' O ' ' A' ' 33' ' ' ARG . 2.7 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.18 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.48 ' HE3' ' N ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.568 0.699 . . . . 0.0 110.917 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.428 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.73 -39.18 6.88 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.658 2.238 . . . . 0.0 112.353 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.428 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 77.3 m-85 -87.82 95.46 10.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.8 p -122.43 123.92 69.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.147 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 30.0 t -59.18 115.38 3.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -80.82 2.34 26.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.839 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -87.85 -52.2 5.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.3 p -109.01 -48.76 3.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.89 42.27 0.34 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.483 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.531 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 72.3 mttt -103.36 141.14 36.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.764 0.316 . . . . 0.0 110.919 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.6 151.93 19.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.074 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 72.0 m-85 -153.95 130.1 10.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.465 ' N ' ' HG2' ' A' ' 11' ' ' LYS . . . -88.62 32.11 4.64 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.51 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.8 tp -167.77 138.01 2.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.841 0.353 . . . . 0.0 110.92 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 93.7 p -56.35 -54.41 45.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.17 -45.25 61.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.066 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -52.79 -44.95 66.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.3 tp -69.19 -59.51 2.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.8 t -47.58 -47.43 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.168 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 -61.15 -32.21 71.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.531 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 22.3 t60 -72.19 -52.01 18.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -41.31 -24.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 31' ' ' HIS . 38.6 mtt85 -49.45 -42.64 43.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.7 pt -60.56 -28.21 42.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -83.88 -10.93 57.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 71.4 p . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 -179.931 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.561 0.695 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.505 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.8 Cg_endo -69.76 -50.73 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.632 2.221 . . . . 0.0 112.377 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.505 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 35.4 m-85 -73.91 114.1 11.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.8 t -125.94 109.0 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.095 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.7 t -46.74 133.62 10.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -96.44 32.1 2.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.569 ' CE2' ' HB3' ' A' ' 35' ' ' HIS . 3.2 t80 -124.41 -58.1 1.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -106.07 -48.5 3.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.51 24.65 1.38 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.469 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.577 ' HD2' ' CZ ' ' A' ' 22' ' ' PHE . 0.4 OUTLIER -86.34 129.7 34.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.776 0.322 . . . . 0.0 110.9 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.468 ' N ' ' HD3' ' A' ' 20' ' ' LYS . . . -91.13 154.43 19.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.577 ' CZ ' ' HD2' ' A' ' 20' ' ' LYS . 91.2 m-85 -145.31 140.44 27.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.842 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.416 ' C ' HD22 ' A' ' 24' ' ' LEU . . . -78.27 -21.98 68.97 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.505 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.416 HD22 ' C ' ' A' ' 23' ' ' GLY . 4.4 mm? -116.41 162.72 17.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.811 0.339 . . . . 0.0 110.911 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.475 ' HB3' ' CZ ' ' A' ' 13' ' ' TYR . 89.7 p -81.4 -36.19 29.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.84 -41.17 87.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.065 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -53.99 -46.61 71.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.4 tp -57.9 -53.95 52.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.0 t -50.09 -46.41 24.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.087 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.496 ' O ' ' CZ ' ' A' ' 33' ' ' ARG . 0.9 OUTLIER -69.98 -22.74 63.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.816 -179.895 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.496 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 5.2 t60 -77.75 -52.7 8.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -44.76 -22.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.496 ' CZ ' ' O ' ' A' ' 30' ' ' ARG . 17.8 mtm105 -54.4 -42.86 70.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 19.0 pt -49.43 -27.02 2.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.14 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.569 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 39.6 m-70 -84.68 -27.35 27.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.816 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.18 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.443 ' HD2' ' CA ' ' A' ' 23' ' ' GLY . 25.3 mmtp . . . . . 0 C--O 1.231 0.09 0 CA-C-O 121.6 0.714 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.445 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.81 -46.15 1.31 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.673 2.249 . . . . 0.0 112.357 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.445 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 59.4 m-85 -80.96 149.21 29.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 97.8 t -155.35 129.06 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.131 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.5 t -77.52 78.46 4.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -39.09 -32.02 0.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -47.2 -64.52 0.76 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.937 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.0 p -99.69 -44.91 5.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.04 35.29 0.78 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.554 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 28.4 tttm -94.87 167.74 11.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.794 0.331 . . . . 0.0 110.942 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.403 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -118.66 152.75 35.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.075 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.554 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 7.9 m-85 -153.86 137.8 16.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.889 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.443 ' CA ' ' HD2' ' A' ' 11' ' ' LYS . . . -77.52 -33.8 42.06 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.562 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.5 mp -107.89 171.57 7.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.823 0.345 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 39.1 p -82.18 -51.96 7.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.97 -43.09 69.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -54.41 -40.2 68.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.507 HD11 ' CE1' ' A' ' 22' ' ' PHE . 14.3 tp -69.03 -49.39 58.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.6 t -59.28 -41.61 84.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.79 -25.89 65.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.466 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 7.4 t60 -73.56 -49.27 27.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -52.27 -15.8 0.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -52.7 -37.15 58.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.567 HD11 ' CE1' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -65.49 -18.4 23.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.094 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.567 ' CE1' HD11 ' A' ' 34' ' ' ILE . 26.9 m-70 -83.92 -21.91 31.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 75.5 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.141 -179.903 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.2 mmtt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 121.554 0.693 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.455 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.8 Cg_endo -69.73 -49.85 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.665 2.244 . . . . 0.0 112.356 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.469 ' CE1' ' HB2' ' A' ' 25' ' ' SER . 37.4 m-85 -75.86 112.35 12.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 93.1 t -127.07 130.67 71.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.085 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.436 ' SG ' ' N ' ' A' ' 16' ' ' ASP . 1.6 t -71.51 157.39 38.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.436 ' N ' ' SG ' ' A' ' 15' ' ' CYS . 44.4 m-20 -101.52 -36.24 8.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.41 ' HB3' ' NE2' ' A' ' 35' ' ' HIS . 6.4 t80 -52.11 -66.79 0.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.4 p -98.73 -46.93 5.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.43 22.11 3.83 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.478 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.577 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -70.29 151.78 44.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.768 0.318 . . . . 0.0 110.927 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.75 146.36 36.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.094 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.577 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 95.5 m-85 -143.83 141.94 30.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -92.59 25.55 18.12 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.536 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 46.9 tp -165.08 123.55 1.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.792 0.329 . . . . 0.0 110.925 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.469 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 43.6 t -43.72 -52.9 6.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.94 -50.55 14.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -55.9 -45.52 78.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.2 tp -62.23 -55.94 23.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.933 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 64.5 t -55.79 -37.75 48.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -78.89 -20.64 48.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.453 ' CG ' ' CE2' ' A' ' 22' ' ' PHE . 11.9 t60 -74.57 -46.29 39.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -48.64 -19.39 0.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 34.2 mtp85 -57.55 -41.44 81.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.8 pt -56.11 -20.09 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.41 ' NE2' ' HB3' ' A' ' 17' ' ' TYR . 49.5 m-70 -88.8 -24.47 22.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.811 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 80.7 p . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.159 -179.911 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.5 mmtm . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.573 0.701 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.471 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.77 -22.42 32.05 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.688 2.258 . . . . 0.0 112.347 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.471 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 69.9 m-85 -98.69 87.22 3.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.6 t -110.39 115.65 50.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.128 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.9 t -44.74 153.63 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -107.56 -28.48 9.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.83 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.544 ' HB3' ' CD2' ' A' ' 35' ' ' HIS . 2.2 t80 -60.79 -51.54 68.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.9 p -117.57 -42.95 2.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.61 85.69 1.78 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.51 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.6 ttpp -142.17 131.81 24.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.778 0.323 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.93 143.61 32.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.095 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -132.99 -73.55 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 125.12 -30.01 4.68 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.446 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 25' ' ' SER . 3.8 mm? -119.65 111.15 17.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.787 0.327 . . . . 0.0 110.958 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 24' ' ' LEU . 31.2 t -34.55 -52.11 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.37 -60.3 2.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.105 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -49.61 -48.8 48.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.0 tp -55.89 -46.23 78.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.9 t -54.5 -54.69 20.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.086 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 86.3 mtt-85 -55.14 -19.71 8.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.403 ' O ' ' N ' ' A' ' 34' ' ' ILE . 28.5 t60 -88.69 -56.31 3.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -46.04 -22.95 0.25 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -75.04 -36.37 61.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.403 ' N ' ' O ' ' A' ' 31' ' ' HIS . 1.5 pp -50.14 -28.1 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.544 ' CD2' ' HB3' ' A' ' 17' ' ' TYR . 76.7 m-70 -72.25 -29.12 63.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.6 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.153 -179.881 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 121.6 0.714 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.494 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.76 -37.33 9.33 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.68 2.253 . . . . 0.0 112.32 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.494 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 29.2 m-85 -93.56 97.11 10.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.8 p -126.14 120.71 57.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.167 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.495 ' SG ' ' NE2' ' A' ' 32' ' ' GLN . 47.0 t -60.12 134.8 57.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -89.95 -32.96 16.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.877 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.406 ' HB3' ' NE2' ' A' ' 35' ' ' HIS . 0.8 OUTLIER -49.65 -56.82 8.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.825 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.5 p -102.12 -47.63 4.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.37 38.7 0.91 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.558 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 16.8 mtpt -97.15 147.0 24.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.78 0.324 . . . . 0.0 110.935 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.07 141.84 30.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.12 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 30.3 m-85 -144.42 136.34 26.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -85.41 -27.69 32.25 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.482 ' CB ' ' OE2' ' A' ' 27' ' ' GLU . 39.0 mt -107.23 128.96 54.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.841 0.353 . . . . 0.0 110.919 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.485 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 30.5 t -50.48 -52.28 39.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.37 -43.39 67.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.102 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.482 ' OE2' ' CB ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -56.41 -35.78 68.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.2 tp -73.84 -47.44 38.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.947 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 71.5 t -59.51 -51.35 73.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.161 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.459 ' HB3' ' CZ ' ' A' ' 30' ' ' ARG . 4.5 ptp180 -59.17 -28.77 66.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.558 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 7.0 t60 -72.09 -48.7 42.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.495 ' NE2' ' SG ' ' A' ' 15' ' ' CYS . 31.0 mm-40 -49.49 -17.55 0.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 47.0 mtt180 -53.22 -36.37 60.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.57 HD11 ' CD2' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -65.73 -17.31 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.57 ' CD2' HD11 ' A' ' 34' ' ' ILE . 29.0 m-70 -89.77 -3.4 58.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.828 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 73.5 p . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.098 -179.926 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.8 mmtm . . . . . 0 C--O 1.232 0.151 0 CA-C-O 121.544 0.688 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -36.29 11.05 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.71 2.273 . . . . 0.0 112.332 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -90.14 106.47 18.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.5 t -117.48 123.92 72.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.147 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 52.1 t -74.25 82.11 1.84 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -42.4 -25.79 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.415 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 2.1 t80 -51.86 -65.44 0.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.9 p -104.19 -41.71 5.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.0 36.13 0.78 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.505 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.509 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 7.0 tptp -94.19 156.31 16.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.8 0.333 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.87 147.36 38.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.096 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.509 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 27.3 m-85 -151.28 131.54 13.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.85 -39.36 55.08 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -101.6 139.79 36.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.819 0.342 . . . . 0.0 110.927 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 34.4 p -56.42 -55.11 37.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.22 -45.88 8.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -52.7 -43.43 65.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.487 HD11 ' CD2' ' A' ' 22' ' ' PHE . 43.2 tp -63.15 -39.45 94.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.7 t -61.97 -56.17 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.415 ' NH1' ' HB2' ' A' ' 30' ' ' ARG . 26.1 mtm105 -61.15 -11.58 9.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.467 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 20.8 t60 -92.54 -61.94 1.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -43.65 -35.95 1.97 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.4 ptt85 -45.65 -40.03 8.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.9 pt -47.95 -35.73 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.415 ' HB3' ' CZ ' ' A' ' 17' ' ' TYR . 59.7 m-70 -78.98 -23.53 44.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.154 -179.892 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -81.51 155.48 25.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.902 0.382 . . . . 0.0 110.855 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.9 p -169.48 157.99 7.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.4 100.41 1.79 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.506 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.3 m -130.73 42.21 3.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.853 0.359 . . . . 0.0 110.816 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.8 p -71.7 122.12 20.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.817 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.47 -44.35 0.2 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.5 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.7 m -73.86 121.02 20.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.9 0.381 . . . . 0.0 110.883 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -94.64 172.72 31.64 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.464 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -60.81 120.76 10.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.873 0.368 . . . . 0.0 110.875 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.4 ' HD2' ' CA ' ' A' ' 23' ' ' GLY . 34.0 mmtt -107.36 152.51 41.28 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.554 0.692 . . . . 0.0 110.932 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.454 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.8 Cg_endo -69.77 -22.49 31.98 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.71 2.273 . . . . 0.0 112.328 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.454 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 72.9 m-85 -106.09 82.53 1.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.404 ' CG2' ' O ' ' A' ' 20' ' ' LYS . 5.8 p -110.79 133.55 55.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.097 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.0 t -71.07 153.16 42.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -101.76 -39.36 7.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.414 ' HB3' ' NE2' ' A' ' 35' ' ' HIS . 1.2 t80 -43.67 -60.86 1.6 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.944 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.9 p -101.67 -44.86 5.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.71 37.57 1.27 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.463 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.543 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 31.9 tttt -90.49 150.73 21.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.759 0.314 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.76 136.9 44.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.112 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.543 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 18.7 m-85 -137.84 131.11 30.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.4 ' CA ' ' HD2' ' A' ' 11' ' ' LYS . . . -71.42 -40.55 59.99 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.481 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.8 tp -110.16 140.6 44.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.803 0.335 . . . . 0.0 110.927 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 88.3 p -52.31 -46.59 66.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.87 -44.62 29.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.1 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -63.5 -35.77 81.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.524 HD13 ' CD1' ' A' ' 22' ' ' PHE . 28.1 tp -70.49 -45.93 64.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.5 t -60.16 -58.52 6.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.099 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -51.97 -32.47 33.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.482 ' CE1' HD13 ' A' ' 34' ' ' ILE . 12.2 t60 -68.75 -54.05 18.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -40.01 -25.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 31' ' ' HIS . 84.3 mtt180 -47.29 -47.79 25.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.482 HD13 ' CE1' ' A' ' 31' ' ' HIS . 20.9 pt -50.04 -29.77 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.466 ' N ' HG13 ' A' ' 34' ' ' ILE . 58.5 m-70 -81.77 -28.64 33.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.6 p -112.2 96.31 5.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.146 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -111.33 107.34 2.15 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -147.58 143.18 27.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.884 0.373 . . . . 0.0 110.903 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.444 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 35.7 mtpt 50.68 54.22 15.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.58 0.705 . . . . 0.0 110.933 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.444 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.7 Cg_endo -69.77 95.98 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.675 2.25 . . . . 0.0 112.372 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.7 p -85.48 87.63 7.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.849 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 120.61 146.29 7.54 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 89.07 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.689 2.259 . . . . 0.0 112.339 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.5 m -153.51 105.53 2.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 97.3 p -173.54 119.03 0.29 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.843 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.094 -0.837 . . . . 0.0 112.547 179.979 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.1 p -122.04 107.76 12.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.857 0.361 . . . . 0.0 110.859 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.4 p -107.72 94.81 5.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.854 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.27 164.16 16.42 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.463 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.7 p -56.58 120.96 8.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.882 0.372 . . . . 0.0 110.855 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.8 m -46.57 -45.0 18.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.893 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 48.84 -153.83 2.17 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.48 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.9 t -55.05 99.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.852 0.358 . . . . 0.0 110.85 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.45 63.16 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.493 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -111.63 144.22 41.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.905 0.383 . . . . 0.0 110.934 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.417 ' HD3' ' C ' ' A' ' 22' ' ' PHE . 54.9 mttm -142.37 143.92 28.95 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.559 0.695 . . . . 0.0 110.882 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.558 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.4 Cg_endo -69.77 -37.85 8.58 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.709 2.272 . . . . 0.0 112.36 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.558 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 11.0 m-85 -92.15 104.38 16.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.8 p -135.99 122.16 30.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.102 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.9 t -68.32 134.66 50.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -88.89 -30.09 19.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.538 ' CE2' ' HB3' ' A' ' 35' ' ' HIS . 2.0 t80 -48.74 -51.6 28.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -112.79 -47.03 3.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.846 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.23 42.76 0.58 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.444 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.51 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 51.4 mttt -100.11 137.55 38.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.773 0.32 . . . . 0.0 110.909 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.96 151.19 20.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.094 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.465 ' N ' ' O ' ' A' ' 13' ' ' TYR . 78.8 m-85 -150.18 128.87 12.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.881 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.421 ' C ' HD12 ' A' ' 24' ' ' LEU . . . -80.99 9.49 53.03 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.421 HD12 ' C ' ' A' ' 23' ' ' GLY . 4.3 mp -142.46 158.29 43.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.869 0.366 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.477 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 20.6 t -78.26 -50.33 12.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.03 -39.38 71.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.141 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -55.9 -52.24 64.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.9 tp -60.51 -51.39 69.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.5 t -50.91 -59.43 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.179 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.1 mtp180 -51.22 -38.84 54.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.532 ' CE1' HD11 ' A' ' 34' ' ' ILE . 12.2 t60 -66.38 -51.43 57.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -38.92 -26.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 31' ' ' HIS . 25.7 mtt85 -49.25 -45.5 44.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.532 HD11 ' CE1' ' A' ' 31' ' ' HIS . 15.8 pt -51.43 -28.32 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.538 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 80.1 m-70 -92.63 24.0 3.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.6 p -153.15 119.62 5.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.78 -112.76 3.18 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.455 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -115.5 136.26 53.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.943 0.402 . . . . 0.0 110.865 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -124.69 80.94 61.4 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.551 0.691 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -20.62 34.73 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.698 2.265 . . . . 0.0 112.327 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.6 p -48.69 156.04 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -113.53 -95.05 2.13 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.517 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.7 Cg_endo -69.75 -26.15 27.93 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.712 2.275 . . . . 0.0 112.333 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 43' ' ' PRO . 29.3 t -36.67 -44.2 0.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 89.3 p -38.86 -50.84 1.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.488 179.985 . . . . . . . . 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 -0.33 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.7 t -66.4 144.01 56.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.918 0.389 . . . . 0.0 110.842 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.9 m -137.54 159.74 41.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.85 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.64 -131.71 7.43 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.467 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.6 p -119.01 109.05 15.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.935 0.397 . . . . 0.0 110.89 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.8 t -168.84 148.84 4.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.63 158.44 9.76 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.523 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.1 t -65.56 -49.42 68.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.928 0.394 . . . . 0.0 110.863 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.26 -101.1 0.26 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.482 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -165.19 139.67 4.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.94 0.4 . . . . 0.0 110.875 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.4 mmpt? -88.75 149.54 44.05 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.618 0.723 . . . . 0.0 110.885 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.544 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.8 Cg_endo -69.8 -40.69 4.97 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.674 2.249 . . . . 0.0 112.352 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.544 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 40.7 m-85 -87.59 99.34 11.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.496 ' CG1' ' O ' ' A' ' 20' ' ' LYS . 98.1 t -114.12 114.57 47.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.103 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.1 t -46.75 133.13 10.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -98.16 8.35 44.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.408 ' HB3' ' CD2' ' A' ' 35' ' ' HIS . 4.2 t80 -98.13 -42.63 7.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.7 p -117.01 -46.74 2.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.42 47.22 0.47 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.474 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.496 ' O ' ' CG1' ' A' ' 14' ' ' VAL . 28.7 mttp -101.68 -175.05 2.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.772 0.32 . . . . 0.0 110.893 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.81 141.0 44.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -145.26 130.31 18.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.39 -21.38 79.64 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -117.63 142.03 47.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.82 0.343 . . . . 0.0 110.895 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.441 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 12.0 t -58.34 -58.41 8.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.75 -48.49 29.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.112 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -50.18 -36.09 28.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.826 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.8 tp -74.02 -46.05 45.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.7 t -58.37 -48.51 84.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.175 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -31.15 72.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.4 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 21.6 t60 -66.53 -41.85 88.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -60.54 -11.87 8.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -62.45 -28.13 69.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.834 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.8 pt -76.9 -20.46 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.408 ' CD2' ' HB3' ' A' ' 17' ' ' TYR . 19.8 m-70 -79.72 -23.04 42.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 45.3 p -115.52 40.56 2.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.13 160.71 0.85 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.478 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -126.8 82.0 2.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.87 0.367 . . . . 0.0 110.891 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -107.56 81.02 1.02 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.556 0.693 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 -19.09 36.44 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.671 2.247 . . . . 0.0 112.315 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.0 m -157.7 111.16 2.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -125.9 83.4 0.35 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.48 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.66 -11.38 30.84 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.674 2.249 . . . . 0.0 112.373 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 45' ' ' SER . 15.8 m -62.02 -54.02 47.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.834 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 44' ' ' SER . 12.9 p -34.72 -38.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.825 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.478 -179.975 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -121.97 42.87 3.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.864 0.364 . . . . 0.0 110.823 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t 48.64 41.6 17.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.853 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.25 81.73 1.42 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.5 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.9 m -73.18 137.04 44.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.874 0.368 . . . . 0.0 110.884 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.5 p -149.78 112.55 4.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.851 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.03 53.4 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.524 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.7 t -113.63 -50.4 2.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.904 0.383 . . . . 0.0 110.878 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.84 179.73 17.61 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.465 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -131.92 151.02 51.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.915 0.388 . . . . 0.0 110.889 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.453 ' HD2' ' CA ' ' A' ' 23' ' ' GLY . 25.2 mmtt -117.11 143.76 32.36 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.605 0.717 . . . . 0.0 110.925 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.517 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.73 -44.45 2.09 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.648 2.232 . . . . 0.0 112.349 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.517 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 46.1 m-85 -85.53 95.95 9.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.93 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.405 ' CG2' ' O ' ' A' ' 20' ' ' LYS . 6.4 p -126.23 120.13 55.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.137 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.1 t -58.42 131.96 52.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -89.89 -19.99 23.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -63.36 -52.36 62.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -105.32 -47.68 3.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.836 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.96 33.34 1.16 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.498 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.405 ' O ' ' CG2' ' A' ' 14' ' ' VAL . 37.5 mttt -93.82 147.89 22.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.811 0.338 . . . . 0.0 110.904 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.5 143.84 31.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.147 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.438 ' N ' ' O ' ' A' ' 13' ' ' TYR . 50.4 m-85 -143.58 133.75 24.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.873 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.453 ' CA ' ' HD2' ' A' ' 11' ' ' LYS . . . -76.14 -34.49 46.53 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.9 tp -106.77 142.69 36.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.82 0.343 . . . . 0.0 110.891 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 26' ' ' ALA . 1.4 t -61.53 -63.62 1.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -35.75 -42.3 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -57.16 -51.77 68.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 42.0 tp -61.82 -55.91 24.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.4 t -48.47 -47.36 14.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.087 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -70.62 -25.75 63.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -72.86 -50.31 24.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.826 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -49.34 -19.36 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -56.94 -30.91 64.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.832 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.0 pt -67.95 -18.78 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 52.1 m-70 -90.81 -21.84 21.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 20.6 p -117.69 32.41 6.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.168 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -108.27 172.26 16.79 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.467 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -115.73 46.23 1.56 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.927 0.394 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.5 mmtt -109.0 143.76 28.27 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.612 0.72 . . . . 0.0 110.905 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.66 -25.66 28.85 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.4 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.5 m -61.76 145.28 52.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.825 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 158.56 146.2 4.46 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.532 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 170.66 16.06 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.703 2.268 . . . . 0.0 112.356 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.1 m -158.79 109.85 2.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.832 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 35.4 p -104.42 -46.25 4.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.5 -179.963 . . . . . . . . 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 -0.323 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -160.17 169.47 23.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.852 0.358 . . . . 0.0 110.872 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -81.76 169.09 17.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.845 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.55 -139.83 7.58 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.47 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.2 p -107.92 125.64 51.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.929 0.395 . . . . 0.0 110.823 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.5 p -91.19 84.15 5.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.848 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.88 72.09 1.1 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.511 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.5 t -70.13 123.45 21.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.875 0.369 . . . . 0.0 110.865 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -171.78 130.82 2.02 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.466 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -94.9 72.71 3.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.903 0.382 . . . . 0.0 110.877 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -57.75 143.85 75.24 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.545 0.688 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.502 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.72 -38.49 7.81 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.644 2.229 . . . . 0.0 112.34 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.502 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 28.0 m-85 -93.49 97.11 10.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.953 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.6 p -125.0 129.19 73.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.122 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.9 t -66.82 139.31 57.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.07 -25.07 18.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -58.18 -55.77 30.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -106.05 -46.64 4.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.85 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.89 35.26 1.16 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.516 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.514 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 17.5 ttmt -93.26 131.96 37.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.763 0.316 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.74 139.73 30.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.103 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.514 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 57.8 m-85 -137.1 133.48 35.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -76.06 -24.4 69.15 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.486 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 tt -115.88 136.77 52.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.861 0.362 . . . . 0.0 110.914 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.471 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 19.4 t -57.41 -56.05 26.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.31 -40.99 3.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.119 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -62.93 -39.36 94.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.7 tp -71.4 -45.07 63.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 99.8 t -62.72 -41.51 92.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.108 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -74.46 -32.14 62.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.484 ' O ' ' N ' ' A' ' 33' ' ' ARG . 10.2 t60 -63.4 -51.86 64.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -39.31 -25.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 31' ' ' HIS . 71.7 mtp85 -49.53 -49.1 47.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.5 pt -50.03 -20.17 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.189 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -91.64 -25.69 19.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 35.2 p -106.0 79.37 1.4 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 171.55 47.85 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.514 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 41.87 40.37 1.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.884 0.373 . . . . 0.0 110.891 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -120.75 75.91 27.59 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.534 0.683 . . . . 0.0 110.918 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 89.04 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.662 2.242 . . . . 0.0 112.381 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.0 t -155.61 111.68 3.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -133.4 -93.04 0.51 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.463 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 144.63 54.4 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.672 2.248 . . . . 0.0 112.315 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.1 m 56.28 42.74 27.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 43.9 t -85.51 -44.57 12.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.852 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.057 -0.857 . . . . 0.0 112.47 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 3' ' ' SER . 48.3 t -53.11 -56.07 19.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.915 0.388 . . . . 0.0 110.858 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 2' ' ' SER . 8.6 t -35.77 149.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.886 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.11 105.38 0.23 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.517 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -83.88 100.1 10.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.811 0.338 . . . . 0.0 110.866 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 t -161.19 175.24 12.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.53 52.05 0.11 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.5 m -99.97 42.4 1.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.912 0.387 . . . . 0.0 110.838 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 177.92 48.92 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.533 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -71.0 150.18 45.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.901 0.381 . . . . 0.0 110.888 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.437 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 7.5 mptt -108.86 145.44 31.68 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.572 0.701 . . . . 0.0 110.918 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.547 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.73 -32.08 19.39 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.719 2.279 . . . . 0.0 112.342 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.547 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 29.9 m-85 -93.41 105.38 17.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.1 p -127.7 130.77 70.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.113 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.3 t -63.77 116.72 6.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -83.61 21.19 1.26 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.409 ' HB3' ' CD2' ' A' ' 35' ' ' HIS . 4.6 t80 -106.59 -52.11 2.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.6 p -112.66 -41.41 3.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.851 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.56 47.17 0.38 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 26.3 tttm -106.89 142.66 36.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.779 0.324 . . . . 0.0 110.931 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.0 149.45 23.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.146 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.561 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 34.2 m-85 -149.87 124.57 9.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.437 ' N ' ' HG2' ' A' ' 11' ' ' LYS . . . -82.52 27.48 3.7 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.477 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 28.5 tp -164.05 135.54 4.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.835 0.35 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.532 ' OG ' ' CE1' ' A' ' 13' ' ' TYR . 1.8 m -52.0 -52.06 53.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.91 -51.85 54.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.054 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -46.34 -37.9 8.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.6 tp -77.22 -47.79 19.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.2 t -53.76 -43.1 54.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.116 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.463 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 28.4 mtt-85 -71.06 -37.98 72.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 33' ' ' ARG . 54.6 t60 -64.63 -61.08 2.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.827 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -38.92 -25.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 31' ' ' HIS . 10.3 mmm180 -49.88 -48.22 51.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.0 pt -54.99 -18.65 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.409 ' CD2' ' HB3' ' A' ' 17' ' ' TYR . 44.5 m-70 -96.66 -27.2 14.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 67.1 p -103.85 94.81 5.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.124 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 143.36 174.4 15.61 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -104.97 95.75 6.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.905 0.383 . . . . 0.0 110.888 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -131.9 143.91 51.04 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.551 0.691 . . . . 0.0 110.965 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 131.35 21.1 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.663 2.242 . . . . 0.0 112.356 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 95.8 p -132.09 109.66 10.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.8 -86.44 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.495 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 172.4 12.71 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.675 2.25 . . . . 0.0 112.362 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.3 m -79.5 80.46 5.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 47.1 m -105.23 -43.26 5.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 CA-C-O 119.12 -0.822 . . . . 0.0 112.487 -179.974 . . . . . . . . 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 -0.308 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.1 m -151.77 126.58 9.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.93 0.395 . . . . 0.0 110.858 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -133.03 140.72 47.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.847 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.74 43.19 0.19 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.528 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.5 m -102.8 43.62 1.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.904 0.383 . . . . 0.0 110.873 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.7 t -89.79 -60.01 2.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.32 48.46 14.42 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.5 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.8 t -76.05 -54.53 6.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.918 0.39 . . . . 0.0 110.88 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 142.87 144.16 4.26 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.478 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -69.98 138.65 52.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.933 0.397 . . . . 0.0 110.918 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.451 ' HE2' ' CA ' ' A' ' 23' ' ' GLY . 3.9 mmmm -76.55 146.85 77.74 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.586 0.708 . . . . 0.0 110.905 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.506 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.1 Cg_endo -69.79 -37.96 8.4 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.656 2.237 . . . . 0.0 112.35 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.506 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 47.1 m-85 -91.24 132.37 36.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.91 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.3 t -146.84 123.79 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.413 ' SG ' ' N ' ' A' ' 16' ' ' ASP . 7.6 t -67.22 157.29 34.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.413 ' N ' ' SG ' ' A' ' 15' ' ' CYS . 1.9 p30 -105.45 -34.15 7.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.514 ' CE2' ' HB3' ' A' ' 35' ' ' HIS . 2.5 t80 -53.03 -58.37 7.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.3 p -103.16 -47.86 4.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.852 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.12 39.13 1.07 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.537 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.504 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 33.1 mttp -87.65 167.81 13.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.842 0.353 . . . . 0.0 110.878 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.42 127.82 50.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.067 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.428 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 70.6 m-85 -127.94 147.64 50.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.451 ' CA ' ' HE2' ' A' ' 11' ' ' LYS . . . -89.37 -28.45 19.8 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.46 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.3 tt -115.88 136.82 52.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.825 0.345 . . . . 0.0 110.877 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 79.7 p -50.97 -59.29 4.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -39.18 -52.38 1.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.062 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -49.84 -49.74 47.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.7 tp -58.52 -48.39 81.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 66.2 t -58.7 -49.75 81.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.155 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -67.12 -13.4 61.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.504 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 9.9 t60 -84.56 -59.14 2.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -41.25 -24.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.936 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 31' ' ' HIS . 27.2 mtt180 -49.0 -41.92 36.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.814 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.437 HD13 ' CE1' ' A' ' 35' ' ' HIS . 25.1 pt -54.77 -27.24 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.115 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.514 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 33.1 m-70 -83.12 -24.03 32.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.5 p -99.53 118.35 35.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.161 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.5 75.14 0.34 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.513 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -153.07 135.25 14.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.917 0.389 . . . . 0.0 110.9 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.7 mmtt -55.12 153.21 12.87 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.58 0.705 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 83.8 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.674 2.249 . . . . 0.0 112.339 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.1 p -162.0 149.96 14.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 139.0 84.33 0.11 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.472 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -2.66 10.52 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.703 2.269 . . . . 0.0 112.335 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 t -87.33 -58.01 2.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.841 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 19.8 m -71.28 104.87 3.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.808 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 CA-C-O 119.154 -0.803 . . . . 0.0 112.502 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -60.2 -59.84 4.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.931 0.396 . . . . 0.0 110.892 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.4 m -79.05 126.21 30.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.43 145.02 18.53 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.502 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.2 m -133.76 163.93 28.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.905 0.383 . . . . 0.0 110.843 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -157.57 167.66 29.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.849 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.68 -160.59 9.18 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.489 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.7 p -107.98 46.21 0.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.944 0.402 . . . . 0.0 110.911 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -95.9 55.85 1.59 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.514 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -91.44 96.48 10.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.865 0.364 . . . . 0.0 110.886 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.1 mmtt -122.69 144.02 41.53 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.58 0.705 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -50.29 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.642 2.228 . . . . 0.0 112.379 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -71.0 95.81 1.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.964 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 93.4 t -113.18 109.16 27.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.14 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.5 t -44.22 126.29 5.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -89.07 15.65 8.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.401 ' HB3' ' NE2' ' A' ' 35' ' ' HIS . 3.1 t80 -103.54 -57.31 2.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.951 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.6 p -110.93 -39.13 4.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.853 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.53 5.02 7.3 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.464 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.517 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 21.4 tttt -66.38 123.55 20.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.78 0.324 . . . . 0.0 110.871 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.42 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -85.05 161.66 19.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.42 ' CG ' ' O ' ' A' ' 21' ' ' ALA . 78.1 m-85 -157.49 138.59 13.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -82.63 -28.59 38.46 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.463 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -114.68 141.66 47.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.829 0.347 . . . . 0.0 110.932 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 37.8 p -55.41 -57.38 12.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.68 -43.9 6.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.087 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -56.48 -42.29 78.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.8 tp -69.27 -43.77 73.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 76.4 t -60.98 -47.19 94.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.085 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 -67.24 -22.49 65.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.517 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 16.2 t60 -76.43 -49.52 16.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.843 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -49.46 -19.18 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.958 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 46.6 mtt180 -50.81 -29.59 12.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.42 HG13 ' N ' ' A' ' 35' ' ' HIS . 19.1 pt -72.82 -27.48 25.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.42 ' N ' HG13 ' A' ' 34' ' ' ILE . 65.4 m-70 -84.97 22.66 1.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.821 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.4 p -158.74 163.69 36.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.166 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.19 -95.89 1.44 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -48.02 -19.76 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.893 0.378 . . . . 0.0 110.857 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.95 81.33 69.26 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.575 0.703 . . . . 0.0 110.901 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -50.3 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.683 2.255 . . . . 0.0 112.356 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.8 t -174.7 163.71 3.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.851 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -179.59 -76.92 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.465 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -42.27 3.55 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.677 2.251 . . . . 0.0 112.34 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 t -91.22 152.38 20.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.5 t -52.13 156.05 1.73 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 CA-C-O 119.108 -0.829 . . . . 0.0 112.497 -179.995 . . . . . . . . 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 -0.304 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t 64.13 41.65 6.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.349 . . . . 0.0 110.851 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.1 t -107.22 106.51 17.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.83 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.11 163.69 28.06 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.1 m -164.29 143.91 7.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.351 . . . . 0.0 110.851 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 t -166.22 119.14 1.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.56 60.94 1.57 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.479 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.0 t -108.69 -42.2 4.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.938 0.399 . . . . 0.0 110.866 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.14 68.29 1.32 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.481 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -59.01 155.66 13.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.978 0.418 . . . . 0.0 110.834 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt -68.44 143.6 95.6 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.585 0.707 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.524 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.78 -47.88 0.83 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.7 2.266 . . . . 0.0 112.333 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.524 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 34.3 m-85 -78.85 107.83 11.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.4 p -130.62 140.61 48.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.123 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.6 t -84.75 151.84 24.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -99.76 -33.38 10.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -50.34 -60.56 2.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.954 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -106.35 -47.1 3.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.14 30.1 1.66 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.495 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.526 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 12.5 tttp -85.75 127.64 34.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.33 156.61 17.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.065 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.45 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 86.4 m-85 -153.02 133.47 13.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.833 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.92 -29.93 66.42 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.48 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 71.9 mt -106.83 150.3 26.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.793 0.33 . . . . 0.0 110.942 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.429 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 48.2 t -66.14 -58.79 4.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.8 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.82 -48.99 15.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -44.71 -47.09 10.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.8 tp -62.43 -51.49 67.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.4 t -49.58 -45.87 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.44 -27.61 65.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.526 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 10.6 t60 -70.92 -54.74 10.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -42.87 -23.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 31' ' ' HIS . 68.5 mtp85 -52.15 -40.59 61.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.56 HD12 ' CE1' ' A' ' 35' ' ' HIS . 5.9 pt -55.94 -16.9 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.56 ' CE1' HD12 ' A' ' 34' ' ' ILE . 41.6 m-70 -93.64 -25.68 17.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.4 p -106.36 95.22 5.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.188 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.86 67.98 1.18 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.527 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -98.88 156.85 16.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.966 0.412 . . . . 0.0 110.906 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.4 pttp -88.98 147.67 39.31 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.601 0.715 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 80.19 0.91 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.685 2.257 . . . . 0.0 112.336 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 t -169.93 116.34 0.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.842 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.94 -156.04 13.53 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.488 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 -165.86 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.674 2.249 . . . . 0.0 112.296 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.7 m -99.75 44.49 1.02 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.5 m -106.97 75.12 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.872 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.141 -0.811 . . . . 0.0 112.488 -179.984 . . . . . . . . 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 -0.326 0 N-CA-C 112.429 -0.268 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 t -161.02 127.6 4.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.807 0.337 . . . . 0.0 110.898 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -150.7 172.24 15.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.8 -129.49 4.31 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.469 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.4 p -158.13 144.37 17.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.887 0.375 . . . . 0.0 110.877 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 t -80.76 83.63 6.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 8' ' ' SER . . . -51.02 144.68 12.2 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.465 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 7' ' ' GLY . 70.5 m -36.17 104.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.907 0.384 . . . . 0.0 110.877 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.51 102.63 2.54 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.504 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.41 95.0 3.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.908 0.385 . . . . 0.0 110.91 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.0 mttt -62.92 142.47 97.48 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.587 0.708 . . . . 0.0 110.876 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.497 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.77 -22.36 32.13 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.712 2.275 . . . . 0.0 112.31 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.497 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 83.8 m-85 -103.05 93.36 4.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.953 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 69.9 t -121.29 117.44 52.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.6 t -46.75 116.14 1.25 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -88.76 29.17 1.04 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.832 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.554 ' CE2' ' HB3' ' A' ' 35' ' ' HIS . 5.9 t80 -120.66 -48.27 2.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.934 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.0 p -119.99 -39.16 2.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.864 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.22 93.55 2.06 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.497 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.5 tttt -159.36 130.5 6.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.746 0.307 . . . . 0.0 110.974 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.67 145.8 26.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.103 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -134.99 -47.63 0.73 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.23 -10.16 74.16 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.5 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.4 tp -135.83 137.78 41.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.817 0.341 . . . . 0.0 110.906 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 81.7 p -59.59 -49.64 76.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.05 -49.6 60.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -60.07 -53.13 61.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.7 tp -54.69 -43.8 72.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.977 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 79.1 t -58.95 -51.34 73.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.113 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 48.9 mtp85 -60.11 -15.21 21.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.486 ' O ' ' CG2' ' A' ' 34' ' ' ILE . 39.6 t60 -93.16 -54.49 3.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -52.77 -35.78 57.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.0 ptt180 -46.42 -21.01 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.486 ' CG2' ' O ' ' A' ' 31' ' ' HIS . 7.6 pt -71.0 -38.37 71.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.554 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 84.4 m-70 -79.43 11.54 2.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.0 p -146.3 146.01 30.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.144 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 175.47 41.01 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.511 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 49.93 42.58 24.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.923 0.392 . . . . 0.0 110.937 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.3 mmtt -118.37 153.7 51.85 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.528 0.68 . . . . 0.0 110.942 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 113.99 3.56 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.683 2.255 . . . . 0.0 112.341 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.1 t -67.24 -54.34 21.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.62 148.82 28.03 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.472 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.66 -19.5 36.51 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.68 2.254 . . . . 0.0 112.395 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.5 m -115.57 92.25 3.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.9 m -152.78 170.06 21.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 CA-C-O 119.139 -0.811 . . . . 0.0 112.522 -179.967 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.539 -0.224 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.0 m -117.77 104.71 11.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.371 . . . . 0.0 110.877 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 4' ' ' GLY . 42.5 m -111.22 98.92 7.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 36.93 -150.73 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.518 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.7 t -118.8 141.79 48.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.88 0.371 . . . . 0.0 110.873 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.7 p -82.74 83.24 7.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.53 111.39 2.48 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.477 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.5 m -80.46 160.89 25.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.914 0.388 . . . . 0.0 110.888 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -139.46 82.92 0.24 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.494 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -82.87 118.09 23.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.889 0.376 . . . . 0.0 110.919 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.2 mmtt -132.93 152.23 79.43 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.606 0.717 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.487 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.5 Cg_endo -69.84 -35.87 11.64 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.694 2.263 . . . . 0.0 112.358 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.487 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 39.5 m-85 -95.06 97.16 9.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.4 p -113.03 135.29 52.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.149 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 39.8 t -67.33 124.85 24.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.61 29.26 1.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.541 ' CE2' ' HB3' ' A' ' 35' ' ' HIS . 2.0 t80 -117.59 -44.12 2.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.8 p -115.74 -46.55 2.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.98 36.59 0.7 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.493 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -104.0 147.64 27.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.826 0.346 . . . . 0.0 110.873 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.77 148.28 25.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.086 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.564 ' CE2' HD11 ' A' ' 28' ' ' LEU . 87.3 m-85 -138.55 127.28 23.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.96 -21.0 75.14 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.519 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 43.6 mt -123.64 146.6 48.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.813 0.339 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 63.3 p -61.49 -56.28 21.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.08 -42.48 60.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.098 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.406 ' OE1' ' N ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -54.17 -33.27 57.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.564 HD11 ' CE2' ' A' ' 22' ' ' PHE . 16.0 tp -76.93 -54.94 5.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.925 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.0 t -52.1 -43.22 37.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -67.17 -22.84 65.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.411 ' C ' ' N ' ' A' ' 33' ' ' ARG . 10.5 t60 -81.88 -48.7 11.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -45.54 -21.08 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.411 ' N ' ' C ' ' A' ' 31' ' ' HIS . 23.7 mtp85 -51.41 -41.44 60.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.8 pt -63.45 -18.72 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.541 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 42.4 m-70 -90.83 -15.42 30.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 71.5 p -116.1 85.33 2.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 149.38 76.99 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.49 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -91.43 -19.82 22.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.923 0.392 . . . . 0.0 110.905 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.9 pttm -124.13 149.68 61.16 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.592 0.71 . . . . 0.0 110.871 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -17.38 37.83 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.635 2.223 . . . . 0.0 112.374 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.8 m -104.24 130.71 52.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -115.79 67.64 0.29 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -10.73 29.29 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.692 2.261 . . . . 0.0 112.339 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.5 t -139.63 153.82 47.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.0 m 62.5 40.53 10.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 CA-C-O 119.105 -0.831 . . . . 0.0 112.488 -179.963 . . . . . . . . 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 -0.314 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 3' ' ' SER . 12.7 t -159.02 107.15 1.84 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.897 0.38 . . . . 0.0 110.886 -179.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 2' ' ' SER . 27.8 m -34.71 -46.66 0.3 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.793 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.74 -48.22 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.517 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.8 p -38.42 121.24 0.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.879 0.371 . . . . 0.0 110.854 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.1 m -84.07 48.7 1.51 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.8 -172.89 0.9 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.494 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 99.3 p -137.38 162.32 33.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.931 0.396 . . . . 0.0 110.834 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 116.08 74.07 0.54 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.454 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -149.3 130.74 14.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.873 0.368 . . . . 0.0 110.888 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.2 mmtp -86.52 142.76 35.34 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.569 0.7 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.557 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.78 -50.72 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.644 2.229 . . . . 0.0 112.381 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.557 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 28.4 m-85 -74.8 102.74 4.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 43.9 t -119.0 108.61 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.108 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.4 t -54.89 112.85 1.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -73.58 -15.49 61.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.489 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 3.1 t80 -65.2 -60.55 2.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.6 p -104.97 -34.17 8.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.13 37.62 2.29 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.491 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.457 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 27.1 mttm -95.0 172.23 8.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.799 0.333 . . . . 0.0 110.925 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.491 ' O ' ' CG ' ' A' ' 22' ' ' PHE . . . -123.31 154.87 38.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.491 ' CG ' ' O ' ' A' ' 21' ' ' ALA . 59.6 m-85 -159.88 126.13 4.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.19 -37.81 81.85 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.467 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -98.48 130.59 45.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.846 0.355 . . . . 0.0 110.906 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.504 ' HB2' ' CZ ' ' A' ' 13' ' ' TYR . 14.5 t -49.75 -58.28 5.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -39.22 -57.28 1.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.117 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -39.29 -47.97 1.77 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.9 tp -63.98 -50.01 70.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.8 t -55.56 -40.79 60.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -80.33 -28.11 38.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.465 ' O ' ' N ' ' A' ' 33' ' ' ARG . 10.6 t60 -69.61 -57.21 5.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -40.36 -25.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 31' ' ' HIS . 30.3 mtp180 -50.43 -43.98 55.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.0 pt -50.15 -21.55 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.167 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.489 ' HB3' ' CZ ' ' A' ' 17' ' ' TYR . 48.8 m-70 -86.05 -28.83 23.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.822 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 36.5 p -90.11 -61.95 1.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.097 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.82 -168.75 1.34 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.465 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -95.32 71.66 3.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.88 0.371 . . . . 0.0 110.913 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.467 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 21.8 tttm -131.7 140.63 38.9 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.604 0.716 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.467 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 53.6 Cg_endo -69.79 -7.81 22.0 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.715 2.277 . . . . 0.0 112.31 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.5 m -83.19 39.01 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.795 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -152.82 157.27 27.2 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 97.58 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.638 2.225 . . . . 0.0 112.327 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 54.5 p -108.86 44.95 1.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.825 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.7 t -116.65 151.38 36.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.472 -179.968 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.0 m -101.63 120.57 40.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.897 0.379 . . . . 0.0 110.857 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.0 p -157.93 109.44 2.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.873 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 42.18 91.0 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.458 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.1 t -85.43 90.69 8.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.905 0.383 . . . . 0.0 110.847 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.6 t -117.53 -56.35 2.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.856 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 56.37 43.12 89.94 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.468 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.4 m -100.49 85.36 2.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.888 0.375 . . . . 0.0 110.867 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . 81.62 68.56 1.45 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 9' ' ' GLY . 1.8 mp0 -37.67 129.47 1.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.898 0.38 . . . . 0.0 110.88 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 42.6 mmtt -53.61 152.99 8.4 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.537 0.684 . . . . 0.0 110.923 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.475 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.76 -37.01 9.74 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.646 2.231 . . . . 0.0 112.346 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.475 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 67.2 m-85 -89.67 118.33 29.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 97.5 t -122.48 126.2 73.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.156 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 52.2 t -63.36 114.13 3.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -81.3 42.38 0.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.559 ' CD1' ' CE1' ' A' ' 35' ' ' HIS . 4.2 t80 -134.56 -52.93 0.82 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.946 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.8 p -112.2 -43.9 3.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.32 52.69 0.28 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt -108.88 172.31 6.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.329 . . . . 0.0 110.917 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.36 148.22 48.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.446 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 48.1 m-85 -149.6 132.81 16.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.0 -36.58 46.18 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.463 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -102.34 142.54 33.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.797 0.332 . . . . 0.0 110.916 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.2 p -59.18 -44.39 92.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.02 -42.73 85.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.112 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -52.95 -44.48 67.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 44.3 tp -67.31 -43.83 80.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.1 t -60.55 -47.58 92.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.167 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.482 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 12.1 ptp180 -65.18 -39.08 92.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.482 ' O ' ' N ' ' A' ' 33' ' ' ARG . 12.3 t60 -61.0 -57.45 12.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.832 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 31' ' ' HIS . 44.1 mt-30 -36.31 -30.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.942 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.482 ' CG ' ' O ' ' A' ' 30' ' ' ARG . 2.2 mmp_? -46.69 -47.92 20.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.458 HG13 ' N ' ' A' ' 35' ' ' HIS . 29.8 pt -43.11 -33.66 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.559 ' CE1' ' CD1' ' A' ' 17' ' ' TYR . 92.4 m-70 -82.16 -28.93 31.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.477 ' N ' ' O ' ' A' ' 33' ' ' ARG . 2.7 t -155.1 116.75 4.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.18 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.19 41.76 0.58 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.52 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.404 ' CD ' ' HA ' ' A' ' 34' ' ' ILE . 21.3 pt-20 -173.85 168.15 4.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.954 0.407 . . . . 0.0 110.895 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.9 mptt -55.97 143.9 60.29 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.566 0.698 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 127.66 14.95 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.698 2.266 . . . . 0.0 112.324 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.7 m -121.34 -48.88 2.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 177.04 75.57 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.48 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -42.16 3.68 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.665 2.244 . . . . 0.0 112.389 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.7 t -66.91 129.5 40.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 37.9 p -110.34 -55.44 2.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.504 179.995 . . . . . . . . 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 -0.319 0 N-CA-C 112.439 -0.264 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.3 t -163.68 113.41 1.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.932 0.396 . . . . 0.0 110.849 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t -174.51 175.43 2.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.05 -168.77 14.07 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.492 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.7 m -125.2 101.18 6.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.896 0.379 . . . . 0.0 110.85 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.6 p -120.43 85.88 2.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.52 78.96 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.471 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 99.1 p -58.59 122.15 12.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.87 0.367 . . . . 0.0 110.865 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 71.24 132.22 0.1 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -110.52 177.01 4.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.929 0.395 . . . . 0.0 110.886 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.48 ' HE3' ' N ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -93.28 143.67 27.08 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.568 0.699 . . . . 0.0 110.917 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.428 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.73 -39.18 6.88 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.658 2.238 . . . . 0.0 112.353 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.428 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 77.3 m-85 -87.82 95.46 10.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.8 p -122.43 123.92 69.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.147 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 30.0 t -59.18 115.38 3.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -80.82 2.34 26.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.839 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -87.85 -52.2 5.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.3 p -109.01 -48.76 3.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.89 42.27 0.34 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.483 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.531 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 72.3 mttt -103.36 141.14 36.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.764 0.316 . . . . 0.0 110.919 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.6 151.93 19.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.074 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 72.0 m-85 -153.95 130.1 10.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.465 ' N ' ' HG2' ' A' ' 11' ' ' LYS . . . -88.62 32.11 4.64 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.51 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.8 tp -167.77 138.01 2.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.841 0.353 . . . . 0.0 110.92 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 93.7 p -56.35 -54.41 45.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.17 -45.25 61.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.066 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -52.79 -44.95 66.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.3 tp -69.19 -59.51 2.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.8 t -47.58 -47.43 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.168 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 -61.15 -32.21 71.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.531 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 22.3 t60 -72.19 -52.01 18.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -41.31 -24.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 31' ' ' HIS . 38.6 mtt85 -49.45 -42.64 43.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.7 pt -60.56 -28.21 42.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -83.88 -10.93 57.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 71.4 p -124.25 177.28 5.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 101.53 -110.57 3.88 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.46 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -38.7 112.92 0.26 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.914 0.387 . . . . 0.0 110.87 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.74 69.28 1.08 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.593 0.711 . . . . 0.0 110.913 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 96.75 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.678 2.252 . . . . 0.0 112.321 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 57.9 m -52.53 160.15 0.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 61.4 171.72 0.96 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.483 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 175.1 8.5 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.704 2.269 . . . . 0.0 112.384 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.2 m -157.23 139.79 14.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.871 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.6 m -41.41 122.8 1.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.473 179.998 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 1' ' ' GLY . 80.4 p 37.79 42.37 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.898 0.38 . . . . 0.0 110.882 -179.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.4 t -103.23 153.31 20.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.18 46.71 0.69 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.447 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.4 m -79.86 138.07 37.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.894 0.378 . . . . 0.0 110.822 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.6 p -72.59 137.69 46.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.36 58.15 4.91 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.505 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 72.1 m -119.63 171.85 8.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.917 0.389 . . . . 0.0 110.856 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.08 61.84 0.53 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.505 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -90.95 133.06 35.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.925 0.393 . . . . 0.0 110.888 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.31 143.7 28.24 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.561 0.695 . . . . 0.0 110.942 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.505 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.8 Cg_endo -69.76 -50.73 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.632 2.221 . . . . 0.0 112.377 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.505 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 35.4 m-85 -73.91 114.1 11.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.8 t -125.94 109.0 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.095 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.7 t -46.74 133.62 10.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -96.44 32.1 2.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.569 ' CE2' ' HB3' ' A' ' 35' ' ' HIS . 3.2 t80 -124.41 -58.1 1.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -106.07 -48.5 3.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.51 24.65 1.38 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.469 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.577 ' HD2' ' CZ ' ' A' ' 22' ' ' PHE . 0.4 OUTLIER -86.34 129.7 34.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.776 0.322 . . . . 0.0 110.9 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.468 ' N ' ' HD3' ' A' ' 20' ' ' LYS . . . -91.13 154.43 19.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.577 ' CZ ' ' HD2' ' A' ' 20' ' ' LYS . 91.2 m-85 -145.31 140.44 27.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.842 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.416 ' C ' HD22 ' A' ' 24' ' ' LEU . . . -78.27 -21.98 68.97 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.505 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.416 HD22 ' C ' ' A' ' 23' ' ' GLY . 4.4 mm? -116.41 162.72 17.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.811 0.339 . . . . 0.0 110.911 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.475 ' HB3' ' CZ ' ' A' ' 13' ' ' TYR . 89.7 p -81.4 -36.19 29.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.84 -41.17 87.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.065 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -53.99 -46.61 71.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.4 tp -57.9 -53.95 52.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.0 t -50.09 -46.41 24.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.087 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.496 ' O ' ' CZ ' ' A' ' 33' ' ' ARG . 0.9 OUTLIER -69.98 -22.74 63.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.816 -179.895 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.496 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 5.2 t60 -77.75 -52.7 8.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -44.76 -22.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.496 ' CZ ' ' O ' ' A' ' 30' ' ' ARG . 17.8 mtm105 -54.4 -42.86 70.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 19.0 pt -49.43 -27.02 2.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.14 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.569 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 39.6 m-70 -84.68 -27.35 27.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.816 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -148.84 127.31 12.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.18 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.05 -87.9 0.2 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.496 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -88.76 114.46 25.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.928 0.394 . . . . 0.0 110.86 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.5 mmtm -42.8 138.81 2.21 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.565 0.698 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 94.16 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.672 2.248 . . . . 0.0 112.359 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.6 m -93.93 107.94 19.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.846 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.91 150.97 7.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.521 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 88.03 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.657 2.238 . . . . 0.0 112.385 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.7 t -112.73 -179.92 3.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.9 m 60.04 50.36 6.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.447 -179.978 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -77.77 127.84 33.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.89 0.376 . . . . 0.0 110.836 -179.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.6 t -115.73 -50.38 2.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.85 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.82 126.93 7.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.491 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.0 p -163.08 142.29 8.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.845 0.355 . . . . 0.0 110.862 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 m -147.94 165.17 31.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.94 89.37 0.54 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.531 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.0 t -143.55 140.62 30.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.885 0.374 . . . . 0.0 110.868 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.36 100.15 1.66 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.496 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -108.74 178.07 4.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.914 0.387 . . . . 0.0 110.905 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.443 ' HD2' ' CA ' ' A' ' 23' ' ' GLY . 25.3 mmtp -135.2 149.13 69.17 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.6 0.714 . . . . 0.0 110.883 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.445 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.81 -46.15 1.31 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.673 2.249 . . . . 0.0 112.357 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.445 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 59.4 m-85 -80.96 149.21 29.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 97.8 t -155.35 129.06 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.131 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.5 t -77.52 78.46 4.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -39.09 -32.02 0.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -47.2 -64.52 0.76 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.937 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.0 p -99.69 -44.91 5.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.04 35.29 0.78 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.554 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 28.4 tttm -94.87 167.74 11.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.794 0.331 . . . . 0.0 110.942 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.403 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -118.66 152.75 35.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.075 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.554 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 7.9 m-85 -153.86 137.8 16.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.889 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.443 ' CA ' ' HD2' ' A' ' 11' ' ' LYS . . . -77.52 -33.8 42.06 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.562 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.5 mp -107.89 171.57 7.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.823 0.345 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 39.1 p -82.18 -51.96 7.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.97 -43.09 69.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -54.41 -40.2 68.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.507 HD11 ' CE1' ' A' ' 22' ' ' PHE . 14.3 tp -69.03 -49.39 58.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.6 t -59.28 -41.61 84.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.79 -25.89 65.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.466 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 7.4 t60 -73.56 -49.27 27.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -52.27 -15.8 0.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -52.7 -37.15 58.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.567 HD11 ' CE1' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -65.49 -18.4 23.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.094 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.567 ' CE1' HD11 ' A' ' 34' ' ' ILE . 26.9 m-70 -83.92 -21.91 31.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 75.5 p -105.1 110.16 22.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.141 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.36 -118.09 3.75 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.486 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -103.32 173.18 6.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.927 0.394 . . . . 0.0 110.853 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.0 82.7 29.3 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.538 0.685 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -45.44 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.685 2.257 . . . . 0.0 112.33 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.5 m -144.36 136.37 26.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -85.92 146.13 21.15 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.462 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 115.75 4.23 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.67 2.247 . . . . 0.0 112.391 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.1 p -95.24 -45.19 7.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.3 t -75.05 -53.25 9.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.843 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 CA-C-O 119.159 -0.8 . . . . 0.0 112.495 -179.975 . . . . . . . . 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 -0.304 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.7 m -110.55 90.1 3.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.846 0.355 . . . . 0.0 110.825 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.0 m -96.09 -61.57 1.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.849 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.17 62.31 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -80.99 100.43 8.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.887 0.375 . . . . 0.0 110.861 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -148.74 152.16 36.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.14 43.92 3.08 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.502 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 95.1 p -155.93 161.61 40.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.904 0.383 . . . . 0.0 110.877 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . 85.24 -34.74 3.22 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.522 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 9' ' ' GLY . 8.3 mt-10 -37.0 122.18 0.82 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.908 0.385 . . . . 0.0 110.881 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.2 mmtt -60.39 143.9 88.89 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.554 0.693 . . . . 0.0 110.94 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.455 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.8 Cg_endo -69.73 -49.85 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.665 2.244 . . . . 0.0 112.356 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.469 ' CE1' ' HB2' ' A' ' 25' ' ' SER . 37.4 m-85 -75.86 112.35 12.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 93.1 t -127.07 130.67 71.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.085 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.436 ' SG ' ' N ' ' A' ' 16' ' ' ASP . 1.6 t -71.51 157.39 38.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.436 ' N ' ' SG ' ' A' ' 15' ' ' CYS . 44.4 m-20 -101.52 -36.24 8.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.41 ' HB3' ' NE2' ' A' ' 35' ' ' HIS . 6.4 t80 -52.11 -66.79 0.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.4 p -98.73 -46.93 5.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.43 22.11 3.83 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.478 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.577 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -70.29 151.78 44.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.768 0.318 . . . . 0.0 110.927 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.75 146.36 36.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.094 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.577 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 95.5 m-85 -143.83 141.94 30.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -92.59 25.55 18.12 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.536 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 46.9 tp -165.08 123.55 1.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.792 0.329 . . . . 0.0 110.925 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.469 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 43.6 t -43.72 -52.9 6.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.94 -50.55 14.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -55.9 -45.52 78.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.2 tp -62.23 -55.94 23.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.933 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 64.5 t -55.79 -37.75 48.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -78.89 -20.64 48.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.453 ' CG ' ' CE2' ' A' ' 22' ' ' PHE . 11.9 t60 -74.57 -46.29 39.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -48.64 -19.39 0.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 34.2 mtp85 -57.55 -41.44 81.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.8 pt -56.11 -20.09 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.41 ' NE2' ' HB3' ' A' ' 17' ' ' TYR . 49.5 m-70 -88.8 -24.47 22.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.811 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 80.7 p -110.2 104.95 13.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.159 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 159.81 -149.22 18.71 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -128.75 161.27 30.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.947 0.403 . . . . 0.0 110.879 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.439 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 18.4 pttt -122.16 54.05 5.04 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.562 0.696 . . . . 0.0 110.917 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.439 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 54.0 Cg_endo -69.74 -44.52 2.04 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.714 2.276 . . . . 0.0 112.342 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 55.6 m -87.68 -72.35 0.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -143.97 146.23 16.6 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.459 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 112.65 3.13 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.707 2.271 . . . . 0.0 112.358 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.6 t -50.22 103.13 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.845 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.7 t -62.87 149.97 43.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.152 -0.805 . . . . 0.0 112.471 179.978 . . . . . . . . 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 -0.35 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t -57.53 141.49 47.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.872 0.367 . . . . 0.0 110.858 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.1 p -78.94 -53.56 6.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.875 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.32 -102.2 0.19 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.437 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -73.23 96.22 2.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.868 0.366 . . . . 0.0 110.846 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.3 m -72.45 93.22 1.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.37 54.68 0.65 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.528 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.6 t -110.81 132.82 53.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.894 0.378 . . . . 0.0 110.883 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.14 -127.43 4.89 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.437 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -167.96 146.3 4.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.916 0.389 . . . . 0.0 110.899 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.5 mmtm -147.09 149.17 34.53 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.573 0.701 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.471 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.77 -22.42 32.05 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.688 2.258 . . . . 0.0 112.347 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.471 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 69.9 m-85 -98.69 87.22 3.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.6 t -110.39 115.65 50.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.128 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.9 t -44.74 153.63 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -107.56 -28.48 9.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.83 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.544 ' HB3' ' CD2' ' A' ' 35' ' ' HIS . 2.2 t80 -60.79 -51.54 68.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.9 p -117.57 -42.95 2.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.61 85.69 1.78 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.51 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.6 ttpp -142.17 131.81 24.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.778 0.323 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.93 143.61 32.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.095 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -132.99 -73.55 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 125.12 -30.01 4.68 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.446 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 25' ' ' SER . 3.8 mm? -119.65 111.15 17.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.787 0.327 . . . . 0.0 110.958 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 24' ' ' LEU . 31.2 t -34.55 -52.11 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.37 -60.3 2.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.105 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -49.61 -48.8 48.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.0 tp -55.89 -46.23 78.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.9 t -54.5 -54.69 20.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.086 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 86.3 mtt-85 -55.14 -19.71 8.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.403 ' O ' ' N ' ' A' ' 34' ' ' ILE . 28.5 t60 -88.69 -56.31 3.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -46.04 -22.95 0.25 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -75.04 -36.37 61.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.403 ' N ' ' O ' ' A' ' 31' ' ' HIS . 1.5 pp -50.14 -28.1 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.544 ' CD2' ' HB3' ' A' ' 17' ' ' TYR . 76.7 m-70 -72.25 -29.12 63.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.6 t -135.72 109.49 8.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.153 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 123.57 76.91 0.34 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.452 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -94.53 150.14 20.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.917 0.389 . . . . 0.0 110.91 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -85.88 144.14 38.88 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.539 0.685 . . . . 0.0 110.956 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 89.79 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.632 2.221 . . . . 0.0 112.376 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 77.6 p -64.42 146.89 53.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.75 162.02 37.35 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.486 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.2 Cg_endo -69.85 2.81 3.24 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.671 2.247 . . . . 0.0 112.313 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 43' ' ' PRO . 77.3 p -34.57 128.84 0.43 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 72.5 p -77.67 102.54 7.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.838 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 119.166 -0.797 . . . . 0.0 112.456 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.8 p -128.62 121.82 29.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.878 0.371 . . . . 0.0 110.861 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -171.58 165.17 6.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.41 36.52 2.77 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.496 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.0 p -47.35 -50.38 22.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 110.836 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.5 m -48.85 142.16 6.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.848 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.63 -76.54 0.27 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.469 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 94.3 p -64.87 122.12 16.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.905 0.383 . . . . 0.0 110.826 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -141.72 -161.22 8.64 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.475 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 51.44 49.26 21.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.909 0.385 . . . . 0.0 110.898 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.88 143.92 5.9 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.6 0.714 . . . . 0.0 110.852 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.494 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.76 -37.33 9.33 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.68 2.253 . . . . 0.0 112.32 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.494 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 29.2 m-85 -93.56 97.11 10.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.8 p -126.14 120.71 57.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.167 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.495 ' SG ' ' NE2' ' A' ' 32' ' ' GLN . 47.0 t -60.12 134.8 57.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -89.95 -32.96 16.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.877 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.406 ' HB3' ' NE2' ' A' ' 35' ' ' HIS . 0.8 OUTLIER -49.65 -56.82 8.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.825 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.5 p -102.12 -47.63 4.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.37 38.7 0.91 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.558 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 16.8 mtpt -97.15 147.0 24.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.78 0.324 . . . . 0.0 110.935 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.07 141.84 30.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.12 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 30.3 m-85 -144.42 136.34 26.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -85.41 -27.69 32.25 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.482 ' CB ' ' OE2' ' A' ' 27' ' ' GLU . 39.0 mt -107.23 128.96 54.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.841 0.353 . . . . 0.0 110.919 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.485 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 30.5 t -50.48 -52.28 39.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.37 -43.39 67.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.102 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.482 ' OE2' ' CB ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -56.41 -35.78 68.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.2 tp -73.84 -47.44 38.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.947 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 71.5 t -59.51 -51.35 73.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.161 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.459 ' HB3' ' CZ ' ' A' ' 30' ' ' ARG . 4.5 ptp180 -59.17 -28.77 66.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.558 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 7.0 t60 -72.09 -48.7 42.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.495 ' NE2' ' SG ' ' A' ' 15' ' ' CYS . 31.0 mm-40 -49.49 -17.55 0.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 47.0 mtt180 -53.22 -36.37 60.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.57 HD11 ' CD2' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -65.73 -17.31 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.57 ' CD2' HD11 ' A' ' 34' ' ' ILE . 29.0 m-70 -89.77 -3.4 58.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.828 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 73.5 p -128.73 130.56 47.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.098 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.8 -78.86 0.42 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.497 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -56.18 130.26 43.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.902 0.382 . . . . 0.0 110.902 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.9 mtpt -131.91 144.18 52.16 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.552 0.691 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -23.38 30.73 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.729 2.286 . . . . 0.0 112.294 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.2 t -165.46 -178.76 5.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.911 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.52 167.22 41.13 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.486 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 104.51 1.34 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.678 2.252 . . . . 0.0 112.352 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.5 m -54.39 -57.61 10.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.7 m -70.58 100.63 1.86 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.838 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.454 179.982 . . . . . . . . 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 1.451 -0.304 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.3 p -58.3 150.09 22.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.839 0.352 . . . . 0.0 110.862 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.6 m -133.56 41.91 3.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.99 119.37 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.452 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.9 t -54.93 119.49 5.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.913 0.387 . . . . 0.0 110.847 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -80.25 -44.75 19.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.09 72.21 2.65 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.482 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.6 t -93.05 127.67 38.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.938 0.399 . . . . 0.0 110.843 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -94.81 73.79 0.99 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.501 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -81.06 90.6 6.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.925 0.393 . . . . 0.0 110.907 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.8 mmtm -78.52 151.25 77.32 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.544 0.688 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -36.29 11.05 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.71 2.273 . . . . 0.0 112.332 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -90.14 106.47 18.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.5 t -117.48 123.92 72.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.147 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 52.1 t -74.25 82.11 1.84 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -42.4 -25.79 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.415 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 2.1 t80 -51.86 -65.44 0.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.9 p -104.19 -41.71 5.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.0 36.13 0.78 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.505 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.509 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 7.0 tptp -94.19 156.31 16.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.8 0.333 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.87 147.36 38.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.096 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.509 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 27.3 m-85 -151.28 131.54 13.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.85 -39.36 55.08 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -101.6 139.79 36.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.819 0.342 . . . . 0.0 110.927 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 34.4 p -56.42 -55.11 37.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.22 -45.88 8.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -52.7 -43.43 65.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.487 HD11 ' CD2' ' A' ' 22' ' ' PHE . 43.2 tp -63.15 -39.45 94.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.7 t -61.97 -56.17 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.415 ' NH1' ' HB2' ' A' ' 30' ' ' ARG . 26.1 mtm105 -61.15 -11.58 9.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.467 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 20.8 t60 -92.54 -61.94 1.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -43.65 -35.95 1.97 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.4 ptt85 -45.65 -40.03 8.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.9 pt -47.95 -35.73 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.415 ' HB3' ' CZ ' ' A' ' 17' ' ' TYR . 59.7 m-70 -78.98 -23.53 44.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.8 t -133.97 103.32 5.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.154 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -170.7 -49.18 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.459 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -99.59 133.45 43.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.984 0.421 . . . . 0.0 110.836 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.9 ttpp -55.48 130.87 70.59 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.542 0.687 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 110.89 2.66 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.632 2.221 . . . . 0.0 112.406 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 87.3 p -99.1 78.45 2.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.27 149.72 41.08 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.467 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.4 Cg_endo -69.8 -42.69 3.15 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.704 2.269 . . . . 0.0 112.295 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 43' ' ' PRO . 43.3 t -34.72 -63.25 0.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 26.1 t -60.44 95.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.49 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.408 ' HD2' ' CA ' ' A' ' 23' ' ' GLY . 34.0 mmtt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.554 0.692 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.458 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.8 Cg_endo -69.77 -22.49 31.98 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.71 2.273 . . . . 0.0 112.328 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.458 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 72.9 m-85 -106.09 82.53 1.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.767 HG23 ' O ' ' A' ' 20' ' ' LYS . 5.8 p -110.79 133.55 55.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.097 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.0 t -71.07 153.16 42.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -101.76 -39.36 7.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.421 ' HB3' ' NE2' ' A' ' 35' ' ' HIS . 1.2 t80 -43.67 -60.86 1.6 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.944 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.9 p -101.67 -44.86 5.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.71 37.57 1.27 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.463 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.767 ' O ' HG23 ' A' ' 14' ' ' VAL . 31.9 tttt -90.49 150.73 21.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.759 0.314 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.76 136.9 44.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.112 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.54 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 18.7 m-85 -137.84 131.11 30.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.408 ' CA ' ' HD2' ' A' ' 11' ' ' LYS . . . -71.42 -40.55 59.99 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.481 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.7 HD23 ' HB3' ' A' ' 26' ' ' ALA . 6.8 tp -110.16 140.6 44.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.803 0.335 . . . . 0.0 110.927 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 88.3 p -52.31 -46.59 66.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.7 ' HB3' HD23 ' A' ' 24' ' ' LEU . . . -47.87 -44.62 29.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.1 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -63.5 -35.77 81.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.1 tp -70.49 -45.93 64.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.5 t -60.16 -58.52 6.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.099 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -51.97 -32.47 33.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.469 ' O ' ' N ' ' A' ' 33' ' ' ARG . 12.2 t60 -68.75 -54.05 18.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -40.01 -25.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 31' ' ' HIS . 84.3 mtt180 -47.29 -47.79 25.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.484 HG13 ' N ' ' A' ' 35' ' ' HIS . 20.9 pt -50.04 -29.77 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.484 ' N ' HG13 ' A' ' 34' ' ' ILE . 58.5 m-70 -81.77 -28.64 33.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.6 p . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.146 -179.891 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.424 ' HD3' ' C ' ' A' ' 22' ' ' PHE . 54.9 mttm . . . . . 0 C--O 1.232 0.155 0 CA-C-O 121.559 0.695 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.57 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.4 Cg_endo -69.77 -37.85 8.58 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.709 2.272 . . . . 0.0 112.36 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.57 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 11.0 m-85 -92.15 104.38 16.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.8 p -135.99 122.16 30.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.102 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.406 ' HB2' ' CD1' ' A' ' 28' ' ' LEU . 12.9 t -68.32 134.66 50.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -88.89 -30.09 19.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.539 ' CE2' ' HB3' ' A' ' 35' ' ' HIS . 2.0 t80 -48.74 -51.6 28.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -112.79 -47.03 3.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.846 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.23 42.76 0.58 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.444 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 51.4 mttt -100.11 137.55 38.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.773 0.32 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.42 ' HB1' ' HD2' ' A' ' 11' ' ' LYS . . . -92.96 151.19 20.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.094 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.465 ' N ' ' O ' ' A' ' 13' ' ' TYR . 78.8 m-85 -150.18 128.87 12.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.881 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.422 ' C ' HD12 ' A' ' 24' ' ' LEU . . . -80.99 9.49 53.03 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.422 HD12 ' C ' ' A' ' 23' ' ' GLY . 4.3 mp -142.46 158.29 43.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.869 0.366 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.466 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 20.6 t -78.26 -50.33 12.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.03 -39.38 71.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.141 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -55.9 -52.24 64.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.406 ' CD1' ' HB2' ' A' ' 15' ' ' CYS . 41.9 tp -60.51 -51.39 69.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.5 t -50.91 -59.43 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.179 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.1 mtp180 -51.22 -38.84 54.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 33' ' ' ARG . 2.5 t-80 -66.38 -51.43 57.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -38.92 -26.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 31' ' ' HIS . 25.7 mtt85 -49.25 -45.5 44.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.477 HG13 ' N ' ' A' ' 35' ' ' HIS . 15.8 pt -51.43 -28.32 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.539 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 80.1 m-70 -92.63 24.0 3.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.6 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 -179.911 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.4 mmpt? . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.618 0.723 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.552 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.8 Cg_endo -69.8 -40.69 4.97 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.674 2.249 . . . . 0.0 112.352 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.552 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 40.7 m-85 -87.59 99.34 11.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.97 HG13 ' O ' ' A' ' 20' ' ' LYS . 98.1 t -114.12 114.57 47.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.103 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.1 t -46.75 133.13 10.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -98.16 8.35 44.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.413 ' HB3' ' CD2' ' A' ' 35' ' ' HIS . 4.2 t80 -98.13 -42.63 7.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.7 p -117.01 -46.74 2.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.42 47.22 0.47 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.474 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.97 ' O ' HG13 ' A' ' 14' ' ' VAL . 28.7 mttp -101.68 -175.05 2.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.772 0.32 . . . . 0.0 110.893 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.81 141.0 44.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -145.26 130.31 18.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.39 -21.38 79.64 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.43 ' HA ' HD13 ' A' ' 24' ' ' LEU . 3.5 mm? -117.63 142.03 47.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.82 0.343 . . . . 0.0 110.895 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.442 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 12.0 t -58.34 -58.41 8.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.75 -48.49 29.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.112 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -50.18 -36.09 28.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.826 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.467 HD22 ' HB3' ' A' ' 13' ' ' TYR . 21.8 tp -74.02 -46.05 45.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.7 t -58.37 -48.51 84.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.175 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -31.15 72.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.404 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 21.6 t60 -66.53 -41.85 88.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -60.54 -11.87 8.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -62.45 -28.13 69.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.834 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.8 pt -76.9 -20.46 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.413 ' CD2' ' HB3' ' A' ' 17' ' ' TYR . 19.8 m-70 -79.72 -23.04 42.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 45.3 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 -179.844 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.475 ' HD2' ' CA ' ' A' ' 23' ' ' GLY . 25.2 mmtt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.605 0.717 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.531 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.73 -44.45 2.09 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.648 2.232 . . . . 0.0 112.349 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.531 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 46.1 m-85 -85.53 95.95 9.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.93 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 20' ' ' LYS . 6.4 p -126.23 120.13 55.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.137 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.1 t -58.42 131.96 52.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -89.89 -19.99 23.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -63.36 -52.36 62.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -105.32 -47.68 3.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.836 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.96 33.34 1.16 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.498 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.72 ' O ' HG23 ' A' ' 14' ' ' VAL . 37.5 mttt -93.82 147.89 22.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.811 0.338 . . . . 0.0 110.904 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.5 143.84 31.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.147 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.438 ' N ' ' O ' ' A' ' 13' ' ' TYR . 50.4 m-85 -143.58 133.75 24.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.873 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.475 ' CA ' ' HD2' ' A' ' 11' ' ' LYS . . . -76.14 -34.49 46.53 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.9 tp -106.77 142.69 36.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.82 0.343 . . . . 0.0 110.891 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 26' ' ' ALA . 1.4 t -61.53 -63.62 1.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -35.75 -42.3 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -57.16 -51.77 68.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 42.0 tp -61.82 -55.91 24.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.4 t -48.47 -47.36 14.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.087 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -70.62 -25.75 63.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -72.86 -50.31 24.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.826 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -49.34 -19.36 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -56.94 -30.91 64.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.832 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.0 pt -67.95 -18.78 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 52.1 m-70 -90.81 -21.84 21.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 20.6 p . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.168 -179.928 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.545 0.688 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.51 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.72 -38.49 7.81 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.644 2.229 . . . . 0.0 112.34 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.51 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 28.0 m-85 -93.49 97.11 10.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.953 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.6 p -125.0 129.19 73.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.122 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.9 t -66.82 139.31 57.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.07 -25.07 18.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -58.18 -55.77 30.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -106.05 -46.64 4.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.85 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.89 35.26 1.16 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.516 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.51 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 17.5 ttmt -93.26 131.96 37.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.763 0.316 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.74 139.73 30.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.103 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.51 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 57.8 m-85 -137.1 133.48 35.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -76.06 -24.4 69.15 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.486 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.611 HD23 ' N ' ' A' ' 25' ' ' SER . 3.0 tt -115.88 136.77 52.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.861 0.362 . . . . 0.0 110.914 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.611 ' N ' HD23 ' A' ' 24' ' ' LEU . 19.4 t -57.41 -56.05 26.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.597 ' HB3' HD22 ' A' ' 24' ' ' LEU . . . -43.31 -40.99 3.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.119 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -62.93 -39.36 94.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.7 tp -71.4 -45.07 63.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 99.8 t -62.72 -41.51 92.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.108 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -74.46 -32.14 62.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.484 ' O ' ' N ' ' A' ' 33' ' ' ARG . 10.2 t60 -63.4 -51.86 64.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -39.31 -25.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 31' ' ' HIS . 71.7 mtp85 -49.53 -49.1 47.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.5 pt -50.03 -20.17 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.189 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -91.64 -25.69 19.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 35.2 p . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 -179.895 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.492 ' HD3' ' HB1' ' A' ' 21' ' ' ALA . 7.5 mptt . . . . . 0 C--O 1.232 0.159 0 CA-C-O 121.572 0.701 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.555 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.73 -32.08 19.39 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.719 2.279 . . . . 0.0 112.342 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.555 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 29.9 m-85 -93.41 105.38 17.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.1 p -127.7 130.77 70.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.113 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.3 t -63.77 116.72 6.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -83.61 21.19 1.26 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.416 ' HB3' ' CD2' ' A' ' 35' ' ' HIS . 4.6 t80 -106.59 -52.11 2.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.6 p -112.66 -41.41 3.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.851 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.56 47.17 0.38 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 26.3 tttm -106.89 142.66 36.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.779 0.324 . . . . 0.0 110.931 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.492 ' HB1' ' HD3' ' A' ' 11' ' ' LYS . . . -100.0 149.45 23.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.146 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.557 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 34.2 m-85 -149.87 124.57 9.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.445 ' N ' ' HG2' ' A' ' 11' ' ' LYS . . . -82.52 27.48 3.7 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.477 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 28.5 tp -164.05 135.54 4.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.835 0.35 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.52 ' OG ' ' CE1' ' A' ' 13' ' ' TYR . 1.8 m -52.0 -52.06 53.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.91 -51.85 54.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.054 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -46.34 -37.9 8.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.6 tp -77.22 -47.79 19.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.2 t -53.76 -43.1 54.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.116 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.463 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 28.4 mtt-85 -71.06 -37.98 72.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 33' ' ' ARG . 54.6 t60 -64.63 -61.08 2.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.827 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -38.92 -25.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 31' ' ' HIS . 10.3 mmm180 -49.88 -48.22 51.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.0 pt -54.99 -18.65 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.416 ' CD2' ' HB3' ' A' ' 17' ' ' TYR . 44.5 m-70 -96.66 -27.2 14.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 67.1 p . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.124 -179.898 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.475 ' HE2' ' CA ' ' A' ' 23' ' ' GLY . 3.9 mmmm . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.586 0.708 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.519 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.1 Cg_endo -69.79 -37.96 8.4 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.656 2.237 . . . . 0.0 112.35 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.519 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 47.1 m-85 -91.24 132.37 36.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.91 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.54 HG13 ' O ' ' A' ' 20' ' ' LYS . 94.3 t -146.84 123.79 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.413 ' SG ' ' N ' ' A' ' 16' ' ' ASP . 7.6 t -67.22 157.29 34.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.413 ' N ' ' SG ' ' A' ' 15' ' ' CYS . 1.9 p30 -105.45 -34.15 7.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.517 ' CE2' ' HB3' ' A' ' 35' ' ' HIS . 2.5 t80 -53.03 -58.37 7.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.3 p -103.16 -47.86 4.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.852 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.12 39.13 1.07 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.537 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.54 ' O ' HG13 ' A' ' 14' ' ' VAL . 33.1 mttp -87.65 167.81 13.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.842 0.353 . . . . 0.0 110.878 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.42 127.82 50.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.067 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.428 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 70.6 m-85 -127.94 147.64 50.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.475 ' CA ' ' HE2' ' A' ' 11' ' ' LYS . . . -89.37 -28.45 19.8 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.46 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.506 HD22 ' HB3' ' A' ' 26' ' ' ALA . 2.3 tt -115.88 136.82 52.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.825 0.345 . . . . 0.0 110.877 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.504 ' N ' HD23 ' A' ' 24' ' ' LEU . 79.7 p -50.97 -59.29 4.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.506 ' HB3' HD22 ' A' ' 24' ' ' LEU . . . -39.18 -52.38 1.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.062 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -49.84 -49.74 47.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.7 tp -58.52 -48.39 81.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 66.2 t -58.7 -49.75 81.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.155 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -67.12 -13.4 61.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.523 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 9.9 t60 -84.56 -59.14 2.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -41.25 -24.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.936 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 31' ' ' HIS . 27.2 mtt180 -49.0 -41.92 36.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.814 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.41 HG13 ' N ' ' A' ' 35' ' ' HIS . 25.1 pt -54.77 -27.24 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.115 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.517 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 33.1 m-70 -83.12 -24.03 32.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.5 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.161 -179.908 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.442 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 49.1 mmtt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 121.58 0.705 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -50.29 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.642 2.228 . . . . 0.0 112.379 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -71.0 95.81 1.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.964 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 93.4 t -113.18 109.16 27.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.14 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.5 t -44.22 126.29 5.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -89.07 15.65 8.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.408 ' HB3' ' NE2' ' A' ' 35' ' ' HIS . 3.1 t80 -103.54 -57.31 2.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.951 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.6 p -110.93 -39.13 4.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.853 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.53 5.02 7.3 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.464 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.533 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 21.4 tttt -66.38 123.55 20.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.78 0.324 . . . . 0.0 110.871 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.442 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -85.05 161.66 19.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.42 ' CG ' ' O ' ' A' ' 21' ' ' ALA . 78.1 m-85 -157.49 138.59 13.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -82.63 -28.59 38.46 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.463 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -114.68 141.66 47.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.829 0.347 . . . . 0.0 110.932 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 37.8 p -55.41 -57.38 12.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.68 -43.9 6.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.087 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -56.48 -42.29 78.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.8 tp -69.27 -43.77 73.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 76.4 t -60.98 -47.19 94.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.085 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 -67.24 -22.49 65.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.533 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 16.2 t60 -76.43 -49.52 16.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.843 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -49.46 -19.18 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.958 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 46.6 mtt180 -50.81 -29.59 12.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.442 HG13 ' N ' ' A' ' 35' ' ' HIS . 19.1 pt -72.82 -27.48 25.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.514 ' O ' HG23 ' A' ' 36' ' ' THR . 65.4 m-70 -84.97 22.66 1.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.821 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.514 HG23 ' O ' ' A' ' 35' ' ' HIS . 22.4 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.166 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.548 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 21.5 mtmt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 121.585 0.707 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.537 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.78 -47.88 0.83 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.7 2.266 . . . . 0.0 112.333 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.537 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 34.3 m-85 -78.85 107.83 11.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.4 p -130.62 140.61 48.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.123 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.6 t -84.75 151.84 24.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -99.76 -33.38 10.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.404 ' HB3' ' NE2' ' A' ' 35' ' ' HIS . 0.6 OUTLIER -50.34 -60.56 2.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.954 -179.878 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -106.35 -47.1 3.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.14 30.1 1.66 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.495 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.537 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 12.5 tttp -85.75 127.64 34.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.548 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -91.33 156.61 17.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.065 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.44 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 86.4 m-85 -153.02 133.47 13.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.833 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.92 -29.93 66.42 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.48 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 71.9 mt -106.83 150.3 26.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.793 0.33 . . . . 0.0 110.942 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.42 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 48.2 t -66.14 -58.79 4.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.8 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.82 -48.99 15.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -44.71 -47.09 10.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.8 tp -62.43 -51.49 67.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.599 HG12 HH21 ' A' ' 30' ' ' ARG . 60.4 t -49.58 -45.87 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.599 HH21 HG12 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -69.44 -27.61 65.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.537 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 10.6 t60 -70.92 -54.74 10.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -42.87 -23.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 31' ' ' HIS . 68.5 mtp85 -52.15 -40.59 61.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.9 pt -55.94 -16.9 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.404 ' NE2' ' HB3' ' A' ' 17' ' ' TYR . 41.6 m-70 -93.64 -25.68 17.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.4 p . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.188 -179.962 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.0 mttt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 121.587 0.708 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.503 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.77 -22.36 32.13 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.712 2.275 . . . . 0.0 112.31 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.503 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 83.8 m-85 -103.05 93.36 4.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.953 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 69.9 t -121.29 117.44 52.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.6 t -46.75 116.14 1.25 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -88.76 29.17 1.04 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.832 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.561 ' CE2' ' HB3' ' A' ' 35' ' ' HIS . 5.9 t80 -120.66 -48.27 2.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.934 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.0 p -119.99 -39.16 2.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.864 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.22 93.55 2.06 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.497 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.5 tttt -159.36 130.5 6.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.746 0.307 . . . . 0.0 110.974 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.67 145.8 26.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.103 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -134.99 -47.63 0.73 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.23 -10.16 74.16 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.5 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.4 tp -135.83 137.78 41.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.817 0.341 . . . . 0.0 110.906 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.565 ' O ' HG23 ' A' ' 29' ' ' VAL . 81.7 p -59.59 -49.64 76.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.05 -49.6 60.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -60.07 -53.13 61.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.7 tp -54.69 -43.8 72.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.977 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 25' ' ' SER . 79.1 t -58.95 -51.34 73.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.113 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 48.9 mtp85 -60.11 -15.21 21.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.909 ' O ' HG23 ' A' ' 34' ' ' ILE . 39.6 t60 -93.16 -54.49 3.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -52.77 -35.78 57.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.0 ptt180 -46.42 -21.01 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.909 HG23 ' O ' ' A' ' 31' ' ' HIS . 7.6 pt -71.0 -38.37 71.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.561 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 84.4 m-70 -79.43 11.54 2.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.0 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.144 -179.901 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.2 mmtt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 121.606 0.717 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.498 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.5 Cg_endo -69.84 -35.87 11.64 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.694 2.263 . . . . 0.0 112.358 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.498 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 39.5 m-85 -95.06 97.16 9.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 20' ' ' LYS . 1.4 p -113.03 135.29 52.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.149 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.415 ' HA ' HD11 ' A' ' 28' ' ' LEU . 39.8 t -67.33 124.85 24.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.61 29.26 1.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.541 ' CE2' ' HB3' ' A' ' 35' ' ' HIS . 2.0 t80 -117.59 -44.12 2.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.8 p -115.74 -46.55 2.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.98 36.59 0.7 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.493 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.45 ' O ' HG23 ' A' ' 14' ' ' VAL . 7.3 mtpm? -104.0 147.64 27.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.826 0.346 . . . . 0.0 110.873 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.77 148.28 25.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.086 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -138.55 127.28 23.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.96 -21.0 75.14 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.519 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 43.6 mt -123.64 146.6 48.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.813 0.339 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 63.3 p -61.49 -56.28 21.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.08 -42.48 60.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.098 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.406 ' OE1' ' N ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -54.17 -33.27 57.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.415 HD11 ' HA ' ' A' ' 15' ' ' CYS . 16.0 tp -76.93 -54.94 5.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.925 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.0 t -52.1 -43.22 37.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -67.17 -22.84 65.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.411 ' C ' ' N ' ' A' ' 33' ' ' ARG . 10.5 t60 -81.88 -48.7 11.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -45.54 -21.08 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.411 ' N ' ' C ' ' A' ' 31' ' ' HIS . 23.7 mtp85 -51.41 -41.44 60.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.8 pt -63.45 -18.72 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.541 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 42.4 m-70 -90.83 -15.42 30.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 71.5 p . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 -179.919 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.502 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 17.2 mmtp . . . . . 0 C--O 1.232 0.137 0 CA-C-O 121.569 0.7 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.567 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.78 -50.72 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.644 2.229 . . . . 0.0 112.381 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.567 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 28.4 m-85 -74.8 102.74 4.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 43.9 t -119.0 108.61 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.108 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.4 t -54.89 112.85 1.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -73.58 -15.49 61.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.493 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 3.1 t80 -65.2 -60.55 2.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.6 p -104.97 -34.17 8.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.13 37.62 2.29 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.491 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.463 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 27.1 mttm -95.0 172.23 8.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.799 0.333 . . . . 0.0 110.925 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.502 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -123.31 154.87 38.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.491 ' CG ' ' O ' ' A' ' 21' ' ' ALA . 59.6 m-85 -159.88 126.13 4.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.19 -37.81 81.85 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.467 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.596 HD12 ' HB3' ' A' ' 26' ' ' ALA . 0.5 OUTLIER -98.48 130.59 45.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.846 0.355 . . . . 0.0 110.906 -179.92 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.499 ' HB2' ' CZ ' ' A' ' 13' ' ' TYR . 14.5 t -49.75 -58.28 5.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.596 ' HB3' HD12 ' A' ' 24' ' ' LEU . . . -39.22 -57.28 1.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.117 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -39.29 -47.97 1.77 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.505 HD22 ' HB3' ' A' ' 13' ' ' TYR . 29.9 tp -63.98 -50.01 70.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.92 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.8 t -55.56 -40.79 60.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -80.33 -28.11 38.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.465 ' O ' ' N ' ' A' ' 33' ' ' ARG . 10.6 t60 -69.61 -57.21 5.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -40.36 -25.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 31' ' ' HIS . 30.3 mtp180 -50.43 -43.98 55.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.4 HG13 ' N ' ' A' ' 35' ' ' HIS . 8.0 pt -50.15 -21.55 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.167 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.493 ' HB3' ' CZ ' ' A' ' 17' ' ' TYR . 48.8 m-70 -86.05 -28.83 23.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.822 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 36.5 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.097 -179.866 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.614 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 42.6 mmtt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 121.537 0.684 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.489 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.76 -37.01 9.74 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.646 2.231 . . . . 0.0 112.346 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.581 ' HB3' HD22 ' A' ' 28' ' ' LEU . 67.2 m-85 -89.67 118.33 29.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 97.5 t -122.48 126.2 73.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.156 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.484 ' HA ' HD11 ' A' ' 28' ' ' LEU . 52.2 t -63.36 114.13 3.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -81.3 42.38 0.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.559 ' CD1' ' CE1' ' A' ' 35' ' ' HIS . 4.2 t80 -134.56 -52.93 0.82 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.946 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.8 p -112.2 -43.9 3.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.32 52.69 0.28 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt -108.88 172.31 6.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.329 . . . . 0.0 110.917 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.614 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -125.36 148.22 48.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.446 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 48.1 m-85 -149.6 132.81 16.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.0 -36.58 46.18 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.463 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' A' ' 24' ' ' LEU . 4.4 mm? -102.34 142.54 33.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.797 0.332 . . . . 0.0 110.916 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.2 p -59.18 -44.39 92.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.02 -42.73 85.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.112 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -52.95 -44.48 67.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.581 HD22 ' HB3' ' A' ' 13' ' ' TYR . 44.3 tp -67.31 -43.83 80.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.1 t -60.55 -47.58 92.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.167 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.482 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 12.1 ptp180 -65.18 -39.08 92.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.482 ' O ' ' N ' ' A' ' 33' ' ' ARG . 12.3 t60 -61.0 -57.45 12.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.832 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 31' ' ' HIS . 44.1 mt-30 -36.31 -30.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.942 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.482 ' CG ' ' O ' ' A' ' 30' ' ' ARG . 2.2 mmp_? -46.69 -47.92 20.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.479 HG13 ' N ' ' A' ' 35' ' ' HIS . 29.8 pt -43.11 -33.66 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.559 ' CE1' ' CD1' ' A' ' 17' ' ' TYR . 92.4 m-70 -82.16 -28.93 31.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.477 ' N ' ' O ' ' A' ' 33' ' ' ARG . 2.7 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.18 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.478 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.568 0.699 . . . . 0.0 110.917 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.438 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.73 -39.18 6.88 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.658 2.238 . . . . 0.0 112.353 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.438 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 77.3 m-85 -87.82 95.46 10.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.8 p -122.43 123.92 69.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.147 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 30.0 t -59.18 115.38 3.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -80.82 2.34 26.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.839 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -87.85 -52.2 5.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.3 p -109.01 -48.76 3.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.89 42.27 0.34 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.483 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.484 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 72.3 mttt -103.36 141.14 36.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.764 0.316 . . . . 0.0 110.919 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.44 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -96.6 151.93 19.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.074 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.484 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 72.0 m-85 -153.95 130.1 10.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.478 ' N ' ' HG2' ' A' ' 11' ' ' LYS . . . -88.62 32.11 4.64 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.51 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.8 tp -167.77 138.01 2.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.841 0.353 . . . . 0.0 110.92 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 93.7 p -56.35 -54.41 45.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.17 -45.25 61.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.066 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -52.79 -44.95 66.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.3 tp -69.19 -59.51 2.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.8 t -47.58 -47.43 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.168 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 -61.15 -32.21 71.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.453 ' O ' ' N ' ' A' ' 33' ' ' ARG . 4.4 t-80 -72.19 -52.01 18.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -41.31 -24.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 31' ' ' HIS . 38.6 mtt85 -49.45 -42.64 43.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.7 pt -60.56 -28.21 42.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -83.88 -10.93 57.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 71.4 p . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 -179.931 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.779 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.561 0.695 . . . . 0.0 110.942 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.515 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.8 Cg_endo -69.76 -50.73 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.632 2.221 . . . . 0.0 112.377 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.515 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 35.4 m-85 -73.91 114.1 11.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.8 t -125.94 109.0 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.095 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.7 t -46.74 133.62 10.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -96.44 32.1 2.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.572 ' CE2' ' HB3' ' A' ' 35' ' ' HIS . 3.2 t80 -124.41 -58.1 1.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -106.07 -48.5 3.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.51 24.65 1.38 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.469 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.596 ' HD2' ' CZ ' ' A' ' 22' ' ' PHE . 0.4 OUTLIER -86.34 129.7 34.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.776 0.322 . . . . 0.0 110.9 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.779 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -91.13 154.43 19.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.596 ' CZ ' ' HD2' ' A' ' 20' ' ' LYS . 91.2 m-85 -145.31 140.44 27.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.842 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -78.27 -21.98 68.97 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.505 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -116.41 162.72 17.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.811 0.339 . . . . 0.0 110.911 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.485 ' HB3' ' CZ ' ' A' ' 13' ' ' TYR . 89.7 p -81.4 -36.19 29.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.403 ' HB1' HH11 ' A' ' 30' ' ' ARG . . . -66.84 -41.17 87.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.065 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -53.99 -46.61 71.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.4 tp -57.9 -53.95 52.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.0 t -50.09 -46.41 24.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.087 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.496 ' O ' ' CZ ' ' A' ' 33' ' ' ARG . 0.9 OUTLIER -69.98 -22.74 63.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.816 -179.895 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.498 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 5.2 t60 -77.75 -52.7 8.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -44.76 -22.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.496 ' CZ ' ' O ' ' A' ' 30' ' ' ARG . 17.8 mtm105 -54.4 -42.86 70.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 19.0 pt -49.43 -27.02 2.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.14 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.572 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 39.6 m-70 -84.68 -27.35 27.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.816 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.18 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.459 ' HD2' ' CA ' ' A' ' 23' ' ' GLY . 25.3 mmtp . . . . . 0 C--O 1.231 0.09 0 CA-C-O 121.6 0.714 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.46 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.81 -46.15 1.31 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.673 2.249 . . . . 0.0 112.357 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.46 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 59.4 m-85 -80.96 149.21 29.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.68 HG13 ' O ' ' A' ' 20' ' ' LYS . 97.8 t -155.35 129.06 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.131 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.5 t -77.52 78.46 4.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -39.09 -32.02 0.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -47.2 -64.52 0.76 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.937 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.0 p -99.69 -44.91 5.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.04 35.29 0.78 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.68 ' O ' HG13 ' A' ' 14' ' ' VAL . 28.4 tttm -94.87 167.74 11.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.794 0.331 . . . . 0.0 110.942 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.447 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -118.66 152.75 35.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.075 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.558 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 7.9 m-85 -153.86 137.8 16.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.889 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.459 ' CA ' ' HD2' ' A' ' 11' ' ' LYS . . . -77.52 -33.8 42.06 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.562 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.5 mp -107.89 171.57 7.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.823 0.345 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 39.1 p -82.18 -51.96 7.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.97 -43.09 69.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -54.41 -40.2 68.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.3 tp -69.03 -49.39 58.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.6 t -59.28 -41.61 84.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.79 -25.89 65.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.76 ' O ' HD12 ' A' ' 34' ' ' ILE . 7.4 t60 -73.56 -49.27 27.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -52.27 -15.8 0.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -52.7 -37.15 58.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.76 HD12 ' O ' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -65.49 -18.4 23.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.094 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.566 ' N ' HD13 ' A' ' 34' ' ' ILE . 26.9 m-70 -83.92 -21.91 31.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 75.5 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.141 -179.903 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.634 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 47.2 mmtt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 121.554 0.693 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.467 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.8 Cg_endo -69.73 -49.85 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.665 2.244 . . . . 0.0 112.356 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.554 ' HB3' HD22 ' A' ' 28' ' ' LEU . 37.4 m-85 -75.86 112.35 12.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 93.1 t -127.07 130.67 71.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.085 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.436 ' SG ' ' N ' ' A' ' 16' ' ' ASP . 1.6 t -71.51 157.39 38.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.436 ' N ' ' SG ' ' A' ' 15' ' ' CYS . 44.4 m-20 -101.52 -36.24 8.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.416 ' HB3' ' NE2' ' A' ' 35' ' ' HIS . 6.4 t80 -52.11 -66.79 0.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.4 p -98.73 -46.93 5.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.43 22.11 3.83 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.478 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.595 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -70.29 151.78 44.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.768 0.318 . . . . 0.0 110.927 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.634 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -110.75 146.36 36.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.094 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.595 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 95.5 m-85 -143.83 141.94 30.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -92.59 25.55 18.12 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.536 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 46.9 tp -165.08 123.55 1.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.792 0.329 . . . . 0.0 110.925 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.468 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 43.6 t -43.72 -52.9 6.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.94 -50.55 14.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -55.9 -45.52 78.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.554 HD22 ' HB3' ' A' ' 13' ' ' TYR . 34.2 tp -62.23 -55.94 23.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.933 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 64.5 t -55.79 -37.75 48.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -78.89 -20.64 48.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.453 ' CG ' ' CE2' ' A' ' 22' ' ' PHE . 11.9 t60 -74.57 -46.29 39.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -48.64 -19.39 0.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 34.2 mtp85 -57.55 -41.44 81.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.8 pt -56.11 -20.09 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.416 ' NE2' ' HB3' ' A' ' 17' ' ' TYR . 49.5 m-70 -88.8 -24.47 22.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.811 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 80.7 p . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.159 -179.911 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.5 mmtm . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.573 0.701 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.477 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.77 -22.42 32.05 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.688 2.258 . . . . 0.0 112.347 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.477 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 69.9 m-85 -98.69 87.22 3.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.6 t -110.39 115.65 50.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.128 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.9 t -44.74 153.63 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -107.56 -28.48 9.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.83 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.551 ' HB3' ' CD2' ' A' ' 35' ' ' HIS . 2.2 t80 -60.79 -51.54 68.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.9 p -117.57 -42.95 2.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.61 85.69 1.78 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.51 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.6 ttpp -142.17 131.81 24.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.778 0.323 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.93 143.61 32.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.095 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -132.99 -73.55 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 125.12 -30.01 4.68 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.446 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 25' ' ' SER . 3.8 mm? -119.65 111.15 17.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.787 0.327 . . . . 0.0 110.958 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.562 ' O ' HG23 ' A' ' 29' ' ' VAL . 31.2 t -34.55 -52.11 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.37 -60.3 2.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.105 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -49.61 -48.8 48.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.0 tp -55.89 -46.23 78.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 25' ' ' SER . 92.9 t -54.5 -54.69 20.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.086 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 86.3 mtt-85 -55.14 -19.71 8.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.427 ' O ' HG23 ' A' ' 34' ' ' ILE . 28.5 t60 -88.69 -56.31 3.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -46.04 -22.95 0.25 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -75.04 -36.37 61.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.434 HD11 ' CE1' ' A' ' 35' ' ' HIS . 1.5 pp -50.14 -28.1 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.551 ' CD2' ' HB3' ' A' ' 17' ' ' TYR . 76.7 m-70 -72.25 -29.12 63.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.535 ' O ' HG23 ' A' ' 36' ' ' THR . 6.6 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.153 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 121.6 0.714 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.505 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.76 -37.33 9.33 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.68 2.253 . . . . 0.0 112.32 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.505 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 29.2 m-85 -93.56 97.11 10.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 20' ' ' LYS . 4.8 p -126.14 120.71 57.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.167 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.0 t -60.12 134.8 57.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -89.95 -32.96 16.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.877 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.605 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 0.8 OUTLIER -49.65 -56.82 8.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.825 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.5 p -102.12 -47.63 4.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.37 38.7 0.91 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.646 ' O ' HG23 ' A' ' 14' ' ' VAL . 16.8 mtpt -97.15 147.0 24.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.78 0.324 . . . . 0.0 110.935 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.07 141.84 30.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.12 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.535 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 30.3 m-85 -144.42 136.34 26.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -85.41 -27.69 32.25 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.482 ' CB ' ' OE2' ' A' ' 27' ' ' GLU . 39.0 mt -107.23 128.96 54.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.841 0.353 . . . . 0.0 110.919 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.481 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 30.5 t -50.48 -52.28 39.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.459 ' HB1' HH21 ' A' ' 30' ' ' ARG . . . -53.37 -43.39 67.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.102 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.482 ' OE2' ' CB ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -56.41 -35.78 68.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.2 tp -73.84 -47.44 38.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.947 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 71.5 t -59.51 -51.35 73.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.161 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 30' ' ' ARG . 4.5 ptp180 -59.17 -28.77 66.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.759 ' O ' HD12 ' A' ' 34' ' ' ILE . 7.0 t60 -72.09 -48.7 42.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -49.49 -17.55 0.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 47.0 mtt180 -53.22 -36.37 60.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.759 HD12 ' O ' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -65.73 -17.31 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.605 ' CE1' ' HB3' ' A' ' 17' ' ' TYR . 33.0 m170 -89.77 -3.4 58.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.828 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 73.5 p . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.098 -179.926 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.401 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 23.8 mmtm . . . . . 0 C--O 1.232 0.151 0 CA-C-O 121.544 0.688 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -36.29 11.05 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.71 2.273 . . . . 0.0 112.332 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -90.14 106.47 18.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.5 t -117.48 123.92 72.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.147 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 52.1 t -74.25 82.11 1.84 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -42.4 -25.79 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.422 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 2.1 t80 -51.86 -65.44 0.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.9 p -104.19 -41.71 5.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.0 36.13 0.78 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.505 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.506 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 7.0 tptp -94.19 156.31 16.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.8 0.333 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.401 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -113.87 147.36 38.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.096 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.506 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 27.3 m-85 -151.28 131.54 13.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.85 -39.36 55.08 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -101.6 139.79 36.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.819 0.342 . . . . 0.0 110.927 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 34.4 p -56.42 -55.11 37.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.22 -45.88 8.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -52.7 -43.43 65.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.2 tp -63.15 -39.45 94.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.7 t -61.97 -56.17 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.43 ' NH1' ' HB2' ' A' ' 30' ' ' ARG . 26.1 mtm105 -61.15 -11.58 9.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.778 ' O ' HG23 ' A' ' 34' ' ' ILE . 20.8 t60 -92.54 -61.94 1.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -43.65 -35.95 1.97 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.4 ptt85 -45.65 -40.03 8.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.778 HG23 ' O ' ' A' ' 31' ' ' HIS . 12.9 pt -47.95 -35.73 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.422 ' HB3' ' CZ ' ' A' ' 17' ' ' TYR . 22.2 m80 -78.98 -23.53 44.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.154 -179.892 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -81.51 155.48 25.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.902 0.382 . . . . 0.0 110.855 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.9 p -169.48 157.99 7.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.4 100.41 1.79 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.506 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.3 m -130.73 42.21 3.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.853 0.359 . . . . 0.0 110.816 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.8 p -71.7 122.12 20.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.817 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.47 -44.35 0.2 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.5 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.7 m -73.86 121.02 20.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.9 0.381 . . . . 0.0 110.883 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -94.64 172.72 31.64 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.464 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -60.81 120.76 10.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.873 0.368 . . . . 0.0 110.875 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.408 ' HD2' ' CA ' ' A' ' 23' ' ' GLY . 34.0 mmtt -107.36 152.51 41.28 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.554 0.692 . . . . 0.0 110.932 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.458 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.8 Cg_endo -69.77 -22.49 31.98 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.71 2.273 . . . . 0.0 112.328 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.458 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 72.9 m-85 -106.09 82.53 1.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.767 HG23 ' O ' ' A' ' 20' ' ' LYS . 5.8 p -110.79 133.55 55.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.097 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.0 t -71.07 153.16 42.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -101.76 -39.36 7.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.421 ' HB3' ' NE2' ' A' ' 35' ' ' HIS . 1.2 t80 -43.67 -60.86 1.6 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.944 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.9 p -101.67 -44.86 5.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.71 37.57 1.27 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.463 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.767 ' O ' HG23 ' A' ' 14' ' ' VAL . 31.9 tttt -90.49 150.73 21.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.759 0.314 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.76 136.9 44.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.112 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.54 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 18.7 m-85 -137.84 131.11 30.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.408 ' CA ' ' HD2' ' A' ' 11' ' ' LYS . . . -71.42 -40.55 59.99 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.481 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.7 HD23 ' HB3' ' A' ' 26' ' ' ALA . 6.8 tp -110.16 140.6 44.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.803 0.335 . . . . 0.0 110.927 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 88.3 p -52.31 -46.59 66.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.7 ' HB3' HD23 ' A' ' 24' ' ' LEU . . . -47.87 -44.62 29.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.1 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -63.5 -35.77 81.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.1 tp -70.49 -45.93 64.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.5 t -60.16 -58.52 6.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.099 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -51.97 -32.47 33.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.469 ' O ' ' N ' ' A' ' 33' ' ' ARG . 12.2 t60 -68.75 -54.05 18.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -40.01 -25.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 31' ' ' HIS . 84.3 mtt180 -47.29 -47.79 25.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.484 HG13 ' N ' ' A' ' 35' ' ' HIS . 20.9 pt -50.04 -29.77 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.484 ' N ' HG13 ' A' ' 34' ' ' ILE . 58.5 m-70 -81.77 -28.64 33.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.6 p -112.2 96.31 5.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.146 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -111.33 107.34 2.15 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -147.58 143.18 27.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.884 0.373 . . . . 0.0 110.903 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.444 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 35.7 mtpt 50.68 54.22 15.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.58 0.705 . . . . 0.0 110.933 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.444 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.7 Cg_endo -69.77 95.98 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.675 2.25 . . . . 0.0 112.372 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.7 p -85.48 87.63 7.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.849 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 120.61 146.29 7.54 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 89.07 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.689 2.259 . . . . 0.0 112.339 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.5 m -153.51 105.53 2.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 97.3 p -173.54 119.03 0.29 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.843 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.094 -0.837 . . . . 0.0 112.547 179.979 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.1 p -122.04 107.76 12.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.857 0.361 . . . . 0.0 110.859 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.4 p -107.72 94.81 5.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.854 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.27 164.16 16.42 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.463 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.7 p -56.58 120.96 8.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.882 0.372 . . . . 0.0 110.855 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.8 m -46.57 -45.0 18.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.893 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 48.84 -153.83 2.17 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.48 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.9 t -55.05 99.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.852 0.358 . . . . 0.0 110.85 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.45 63.16 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.493 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -111.63 144.22 41.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.905 0.383 . . . . 0.0 110.934 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.424 ' HD3' ' C ' ' A' ' 22' ' ' PHE . 54.9 mttm -142.37 143.92 28.95 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.559 0.695 . . . . 0.0 110.882 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.57 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.4 Cg_endo -69.77 -37.85 8.58 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.709 2.272 . . . . 0.0 112.36 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.57 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 11.0 m-85 -92.15 104.38 16.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.8 p -135.99 122.16 30.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.102 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.406 ' HB2' ' CD1' ' A' ' 28' ' ' LEU . 12.9 t -68.32 134.66 50.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -88.89 -30.09 19.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.539 ' CE2' ' HB3' ' A' ' 35' ' ' HIS . 2.0 t80 -48.74 -51.6 28.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -112.79 -47.03 3.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.846 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.23 42.76 0.58 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.444 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.531 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 51.4 mttt -100.11 137.55 38.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.773 0.32 . . . . 0.0 110.909 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.42 ' HB1' ' HD2' ' A' ' 11' ' ' LYS . . . -92.96 151.19 20.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.094 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.465 ' N ' ' O ' ' A' ' 13' ' ' TYR . 78.8 m-85 -150.18 128.87 12.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.881 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.422 ' C ' HD12 ' A' ' 24' ' ' LEU . . . -80.99 9.49 53.03 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.422 HD12 ' C ' ' A' ' 23' ' ' GLY . 4.3 mp -142.46 158.29 43.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.869 0.366 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.466 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 20.6 t -78.26 -50.33 12.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.03 -39.38 71.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.141 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -55.9 -52.24 64.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.406 ' CD1' ' HB2' ' A' ' 15' ' ' CYS . 41.9 tp -60.51 -51.39 69.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.5 t -50.91 -59.43 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.179 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.1 mtp180 -51.22 -38.84 54.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.531 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 12.2 t60 -66.38 -51.43 57.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -38.92 -26.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 31' ' ' HIS . 25.7 mtt85 -49.25 -45.5 44.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.477 HG13 ' N ' ' A' ' 35' ' ' HIS . 15.8 pt -51.43 -28.32 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.539 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 80.1 m-70 -92.63 24.0 3.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.6 p -153.15 119.62 5.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.78 -112.76 3.18 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.455 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -115.5 136.26 53.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.943 0.402 . . . . 0.0 110.865 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -124.69 80.94 61.4 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.551 0.691 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -20.62 34.73 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.698 2.265 . . . . 0.0 112.327 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.6 p -48.69 156.04 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -113.53 -95.05 2.13 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.517 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.7 Cg_endo -69.75 -26.15 27.93 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.712 2.275 . . . . 0.0 112.333 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 43' ' ' PRO . 29.3 t -36.67 -44.2 0.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 89.3 p -38.86 -50.84 1.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.488 179.985 . . . . . . . . 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 -0.33 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.7 t -66.4 144.01 56.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.918 0.389 . . . . 0.0 110.842 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.9 m -137.54 159.74 41.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.85 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.64 -131.71 7.43 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.467 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.6 p -119.01 109.05 15.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.935 0.397 . . . . 0.0 110.89 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.8 t -168.84 148.84 4.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.63 158.44 9.76 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.523 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.1 t -65.56 -49.42 68.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.928 0.394 . . . . 0.0 110.863 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.26 -101.1 0.26 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.482 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -165.19 139.67 4.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.94 0.4 . . . . 0.0 110.875 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.4 mmpt? -88.75 149.54 44.05 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.618 0.723 . . . . 0.0 110.885 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.552 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.8 Cg_endo -69.8 -40.69 4.97 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.674 2.249 . . . . 0.0 112.352 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.552 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 40.7 m-85 -87.59 99.34 11.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.97 HG13 ' O ' ' A' ' 20' ' ' LYS . 98.1 t -114.12 114.57 47.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.103 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.1 t -46.75 133.13 10.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -98.16 8.35 44.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.413 ' HB3' ' CD2' ' A' ' 35' ' ' HIS . 4.2 t80 -98.13 -42.63 7.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.7 p -117.01 -46.74 2.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.42 47.22 0.47 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.474 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.97 ' O ' HG13 ' A' ' 14' ' ' VAL . 28.7 mttp -101.68 -175.05 2.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.772 0.32 . . . . 0.0 110.893 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.81 141.0 44.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -145.26 130.31 18.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.39 -21.38 79.64 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.43 ' HA ' HD13 ' A' ' 24' ' ' LEU . 3.5 mm? -117.63 142.03 47.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.82 0.343 . . . . 0.0 110.895 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.442 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 12.0 t -58.34 -58.41 8.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.75 -48.49 29.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.112 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -50.18 -36.09 28.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.826 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.467 HD22 ' HB3' ' A' ' 13' ' ' TYR . 21.8 tp -74.02 -46.05 45.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.7 t -58.37 -48.51 84.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.175 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -31.15 72.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.404 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 21.6 t60 -66.53 -41.85 88.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -60.54 -11.87 8.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -62.45 -28.13 69.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.834 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.8 pt -76.9 -20.46 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.413 ' CD2' ' HB3' ' A' ' 17' ' ' TYR . 19.8 m-70 -79.72 -23.04 42.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 45.3 p -115.52 40.56 2.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.13 160.71 0.85 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.478 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -126.8 82.0 2.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.87 0.367 . . . . 0.0 110.891 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -107.56 81.02 1.02 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.556 0.693 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 -19.09 36.44 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.671 2.247 . . . . 0.0 112.315 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.0 m -157.7 111.16 2.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -125.9 83.4 0.35 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.48 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.66 -11.38 30.84 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.674 2.249 . . . . 0.0 112.373 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 45' ' ' SER . 15.8 m -62.02 -54.02 47.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.834 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 44' ' ' SER . 12.9 p -34.72 -38.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.825 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.478 -179.975 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -121.97 42.87 3.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.864 0.364 . . . . 0.0 110.823 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t 48.64 41.6 17.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.853 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.25 81.73 1.42 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.5 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.9 m -73.18 137.04 44.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.874 0.368 . . . . 0.0 110.884 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.5 p -149.78 112.55 4.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.851 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.03 53.4 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.524 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.7 t -113.63 -50.4 2.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.904 0.383 . . . . 0.0 110.878 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.84 179.73 17.61 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.465 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -131.92 151.02 51.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.915 0.388 . . . . 0.0 110.889 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.475 ' HD2' ' CA ' ' A' ' 23' ' ' GLY . 25.2 mmtt -117.11 143.76 32.36 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.605 0.717 . . . . 0.0 110.925 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.531 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.73 -44.45 2.09 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.648 2.232 . . . . 0.0 112.349 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.531 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 46.1 m-85 -85.53 95.95 9.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.93 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 20' ' ' LYS . 6.4 p -126.23 120.13 55.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.137 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.1 t -58.42 131.96 52.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -89.89 -19.99 23.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -63.36 -52.36 62.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -105.32 -47.68 3.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.836 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.96 33.34 1.16 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.498 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.72 ' O ' HG23 ' A' ' 14' ' ' VAL . 37.5 mttt -93.82 147.89 22.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.811 0.338 . . . . 0.0 110.904 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.5 143.84 31.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.147 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.438 ' N ' ' O ' ' A' ' 13' ' ' TYR . 50.4 m-85 -143.58 133.75 24.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.873 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.475 ' CA ' ' HD2' ' A' ' 11' ' ' LYS . . . -76.14 -34.49 46.53 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.9 tp -106.77 142.69 36.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.82 0.343 . . . . 0.0 110.891 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 26' ' ' ALA . 1.4 t -61.53 -63.62 1.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -35.75 -42.3 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -57.16 -51.77 68.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 42.0 tp -61.82 -55.91 24.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.4 t -48.47 -47.36 14.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.087 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -70.62 -25.75 63.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -72.86 -50.31 24.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.826 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -49.34 -19.36 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -56.94 -30.91 64.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.832 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.0 pt -67.95 -18.78 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 52.1 m-70 -90.81 -21.84 21.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 20.6 p -117.69 32.41 6.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.168 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -108.27 172.26 16.79 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.467 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -115.73 46.23 1.56 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.927 0.394 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.5 mmtt -109.0 143.76 28.27 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.612 0.72 . . . . 0.0 110.905 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.66 -25.66 28.85 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.4 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.5 m -61.76 145.28 52.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.825 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 158.56 146.2 4.46 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.532 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 170.66 16.06 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.703 2.268 . . . . 0.0 112.356 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.1 m -158.79 109.85 2.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.832 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 35.4 p -104.42 -46.25 4.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.5 -179.963 . . . . . . . . 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 -0.323 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -160.17 169.47 23.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.852 0.358 . . . . 0.0 110.872 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -81.76 169.09 17.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.845 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.55 -139.83 7.58 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.47 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.2 p -107.92 125.64 51.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.929 0.395 . . . . 0.0 110.823 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.5 p -91.19 84.15 5.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.848 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.88 72.09 1.1 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.511 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.5 t -70.13 123.45 21.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.875 0.369 . . . . 0.0 110.865 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -171.78 130.82 2.02 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.466 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -94.9 72.71 3.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.903 0.382 . . . . 0.0 110.877 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -57.75 143.85 75.24 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.545 0.688 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.51 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.72 -38.49 7.81 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.644 2.229 . . . . 0.0 112.34 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.51 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 28.0 m-85 -93.49 97.11 10.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.953 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.6 p -125.0 129.19 73.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.122 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.9 t -66.82 139.31 57.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.07 -25.07 18.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -58.18 -55.77 30.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -106.05 -46.64 4.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.85 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.89 35.26 1.16 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.516 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.51 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 17.5 ttmt -93.26 131.96 37.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.763 0.316 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.74 139.73 30.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.103 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.51 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 57.8 m-85 -137.1 133.48 35.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -76.06 -24.4 69.15 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.486 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.611 HD23 ' N ' ' A' ' 25' ' ' SER . 3.0 tt -115.88 136.77 52.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.861 0.362 . . . . 0.0 110.914 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.611 ' N ' HD23 ' A' ' 24' ' ' LEU . 19.4 t -57.41 -56.05 26.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.597 ' HB3' HD22 ' A' ' 24' ' ' LEU . . . -43.31 -40.99 3.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.119 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -62.93 -39.36 94.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.7 tp -71.4 -45.07 63.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 99.8 t -62.72 -41.51 92.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.108 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -74.46 -32.14 62.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.484 ' O ' ' N ' ' A' ' 33' ' ' ARG . 10.2 t60 -63.4 -51.86 64.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -39.31 -25.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 31' ' ' HIS . 71.7 mtp85 -49.53 -49.1 47.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.5 pt -50.03 -20.17 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.189 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -91.64 -25.69 19.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 35.2 p -106.0 79.37 1.4 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 171.55 47.85 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.514 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 41.87 40.37 1.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.884 0.373 . . . . 0.0 110.891 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -120.75 75.91 27.59 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.534 0.683 . . . . 0.0 110.918 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 89.04 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.662 2.242 . . . . 0.0 112.381 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.0 t -155.61 111.68 3.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -133.4 -93.04 0.51 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.463 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 144.63 54.4 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.672 2.248 . . . . 0.0 112.315 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.1 m 56.28 42.74 27.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 43.9 t -85.51 -44.57 12.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.852 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.057 -0.857 . . . . 0.0 112.47 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 3' ' ' SER . 48.3 t -53.11 -56.07 19.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.915 0.388 . . . . 0.0 110.858 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 2' ' ' SER . 8.6 t -35.77 149.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.886 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.11 105.38 0.23 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.517 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -83.88 100.1 10.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.811 0.338 . . . . 0.0 110.866 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 t -161.19 175.24 12.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.53 52.05 0.11 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.5 m -99.97 42.4 1.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.912 0.387 . . . . 0.0 110.838 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 177.92 48.92 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.533 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -71.0 150.18 45.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.901 0.381 . . . . 0.0 110.888 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.492 ' HD3' ' HB1' ' A' ' 21' ' ' ALA . 7.5 mptt -108.86 145.44 31.68 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.572 0.701 . . . . 0.0 110.918 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.555 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.73 -32.08 19.39 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.719 2.279 . . . . 0.0 112.342 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.555 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 29.9 m-85 -93.41 105.38 17.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.1 p -127.7 130.77 70.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.113 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.3 t -63.77 116.72 6.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -83.61 21.19 1.26 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.416 ' HB3' ' CD2' ' A' ' 35' ' ' HIS . 4.6 t80 -106.59 -52.11 2.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.6 p -112.66 -41.41 3.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.851 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.56 47.17 0.38 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 26.3 tttm -106.89 142.66 36.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.779 0.324 . . . . 0.0 110.931 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.492 ' HB1' ' HD3' ' A' ' 11' ' ' LYS . . . -100.0 149.45 23.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.146 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.557 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 34.2 m-85 -149.87 124.57 9.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.445 ' N ' ' HG2' ' A' ' 11' ' ' LYS . . . -82.52 27.48 3.7 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.477 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 28.5 tp -164.05 135.54 4.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.835 0.35 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.52 ' OG ' ' CE1' ' A' ' 13' ' ' TYR . 1.8 m -52.0 -52.06 53.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.91 -51.85 54.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.054 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -46.34 -37.9 8.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.6 tp -77.22 -47.79 19.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.2 t -53.76 -43.1 54.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.116 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.463 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 28.4 mtt-85 -71.06 -37.98 72.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 33' ' ' ARG . 54.6 t60 -64.63 -61.08 2.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.827 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -38.92 -25.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 31' ' ' HIS . 10.3 mmm180 -49.88 -48.22 51.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.0 pt -54.99 -18.65 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.416 ' CD2' ' HB3' ' A' ' 17' ' ' TYR . 44.5 m-70 -96.66 -27.2 14.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 67.1 p -103.85 94.81 5.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.124 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 143.36 174.4 15.61 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -104.97 95.75 6.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.905 0.383 . . . . 0.0 110.888 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -131.9 143.91 51.04 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.551 0.691 . . . . 0.0 110.965 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 131.35 21.1 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.663 2.242 . . . . 0.0 112.356 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 95.8 p -132.09 109.66 10.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.8 -86.44 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.495 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 172.4 12.71 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.675 2.25 . . . . 0.0 112.362 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.3 m -79.5 80.46 5.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 47.1 m -105.23 -43.26 5.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 CA-C-O 119.12 -0.822 . . . . 0.0 112.487 -179.974 . . . . . . . . 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 -0.308 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.1 m -151.77 126.58 9.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.93 0.395 . . . . 0.0 110.858 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -133.03 140.72 47.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.847 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.74 43.19 0.19 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.528 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.5 m -102.8 43.62 1.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.904 0.383 . . . . 0.0 110.873 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.7 t -89.79 -60.01 2.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.32 48.46 14.42 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.5 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.8 t -76.05 -54.53 6.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.918 0.39 . . . . 0.0 110.88 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 142.87 144.16 4.26 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.478 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -69.98 138.65 52.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.933 0.397 . . . . 0.0 110.918 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.475 ' HE2' ' CA ' ' A' ' 23' ' ' GLY . 3.9 mmmm -76.55 146.85 77.74 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.586 0.708 . . . . 0.0 110.905 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.519 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.1 Cg_endo -69.79 -37.96 8.4 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.656 2.237 . . . . 0.0 112.35 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.519 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 47.1 m-85 -91.24 132.37 36.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.91 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.54 HG13 ' O ' ' A' ' 20' ' ' LYS . 94.3 t -146.84 123.79 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.413 ' SG ' ' N ' ' A' ' 16' ' ' ASP . 7.6 t -67.22 157.29 34.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.413 ' N ' ' SG ' ' A' ' 15' ' ' CYS . 1.9 p30 -105.45 -34.15 7.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.517 ' CE2' ' HB3' ' A' ' 35' ' ' HIS . 2.5 t80 -53.03 -58.37 7.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.3 p -103.16 -47.86 4.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.852 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.12 39.13 1.07 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.537 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.54 ' O ' HG13 ' A' ' 14' ' ' VAL . 33.1 mttp -87.65 167.81 13.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.842 0.353 . . . . 0.0 110.878 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.42 127.82 50.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.067 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.428 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 70.6 m-85 -127.94 147.64 50.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.475 ' CA ' ' HE2' ' A' ' 11' ' ' LYS . . . -89.37 -28.45 19.8 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.46 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.506 HD22 ' HB3' ' A' ' 26' ' ' ALA . 2.3 tt -115.88 136.82 52.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.825 0.345 . . . . 0.0 110.877 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.504 ' N ' HD23 ' A' ' 24' ' ' LEU . 79.7 p -50.97 -59.29 4.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.506 ' HB3' HD22 ' A' ' 24' ' ' LEU . . . -39.18 -52.38 1.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.062 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -49.84 -49.74 47.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.7 tp -58.52 -48.39 81.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 66.2 t -58.7 -49.75 81.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.155 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -67.12 -13.4 61.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.523 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 9.9 t60 -84.56 -59.14 2.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -41.25 -24.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.936 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 31' ' ' HIS . 27.2 mtt180 -49.0 -41.92 36.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.814 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.41 HG13 ' N ' ' A' ' 35' ' ' HIS . 25.1 pt -54.77 -27.24 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.115 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.517 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 33.1 m-70 -83.12 -24.03 32.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.5 p -99.53 118.35 35.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.161 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.5 75.14 0.34 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.513 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -153.07 135.25 14.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.917 0.389 . . . . 0.0 110.9 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.7 mmtt -55.12 153.21 12.87 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.58 0.705 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 83.8 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.674 2.249 . . . . 0.0 112.339 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.1 p -162.0 149.96 14.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 139.0 84.33 0.11 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.472 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -2.66 10.52 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.703 2.269 . . . . 0.0 112.335 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 t -87.33 -58.01 2.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.841 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 19.8 m -71.28 104.87 3.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.808 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 CA-C-O 119.154 -0.803 . . . . 0.0 112.502 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -60.2 -59.84 4.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.931 0.396 . . . . 0.0 110.892 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.4 m -79.05 126.21 30.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.43 145.02 18.53 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.502 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.2 m -133.76 163.93 28.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.905 0.383 . . . . 0.0 110.843 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -157.57 167.66 29.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.849 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.68 -160.59 9.18 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.489 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.7 p -107.98 46.21 0.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.944 0.402 . . . . 0.0 110.911 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -95.9 55.85 1.59 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.514 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -91.44 96.48 10.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.865 0.364 . . . . 0.0 110.886 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.442 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 49.1 mmtt -122.69 144.02 41.53 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.58 0.705 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -50.29 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.642 2.228 . . . . 0.0 112.379 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -71.0 95.81 1.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.964 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 93.4 t -113.18 109.16 27.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.14 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.5 t -44.22 126.29 5.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -89.07 15.65 8.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.408 ' HB3' ' NE2' ' A' ' 35' ' ' HIS . 3.1 t80 -103.54 -57.31 2.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.951 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.6 p -110.93 -39.13 4.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.853 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.53 5.02 7.3 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.464 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.533 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 21.4 tttt -66.38 123.55 20.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.78 0.324 . . . . 0.0 110.871 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.442 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -85.05 161.66 19.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.42 ' CG ' ' O ' ' A' ' 21' ' ' ALA . 78.1 m-85 -157.49 138.59 13.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -82.63 -28.59 38.46 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.463 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -114.68 141.66 47.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.829 0.347 . . . . 0.0 110.932 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 37.8 p -55.41 -57.38 12.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.68 -43.9 6.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.087 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -56.48 -42.29 78.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.8 tp -69.27 -43.77 73.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 76.4 t -60.98 -47.19 94.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.085 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 -67.24 -22.49 65.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.533 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 16.2 t60 -76.43 -49.52 16.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.843 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -49.46 -19.18 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.958 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 46.6 mtt180 -50.81 -29.59 12.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.442 HG13 ' N ' ' A' ' 35' ' ' HIS . 19.1 pt -72.82 -27.48 25.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.514 ' O ' HG23 ' A' ' 36' ' ' THR . 65.4 m-70 -84.97 22.66 1.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.821 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.514 HG23 ' O ' ' A' ' 35' ' ' HIS . 22.4 p -158.74 163.69 36.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.166 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.19 -95.89 1.44 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -48.02 -19.76 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.893 0.378 . . . . 0.0 110.857 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.95 81.33 69.26 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.575 0.703 . . . . 0.0 110.901 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -50.3 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.683 2.255 . . . . 0.0 112.356 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.8 t -174.7 163.71 3.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.851 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -179.59 -76.92 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.465 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -42.27 3.55 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.677 2.251 . . . . 0.0 112.34 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 t -91.22 152.38 20.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.5 t -52.13 156.05 1.73 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 CA-C-O 119.108 -0.829 . . . . 0.0 112.497 -179.995 . . . . . . . . 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 -0.304 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t 64.13 41.65 6.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.349 . . . . 0.0 110.851 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.1 t -107.22 106.51 17.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.83 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.11 163.69 28.06 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.1 m -164.29 143.91 7.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.351 . . . . 0.0 110.851 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 t -166.22 119.14 1.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.56 60.94 1.57 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.479 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.0 t -108.69 -42.2 4.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.938 0.399 . . . . 0.0 110.866 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.14 68.29 1.32 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.481 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -59.01 155.66 13.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.978 0.418 . . . . 0.0 110.834 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.548 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 21.5 mtmt -68.44 143.6 95.6 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.585 0.707 . . . . 0.0 110.88 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.537 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.78 -47.88 0.83 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.7 2.266 . . . . 0.0 112.333 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.537 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 34.3 m-85 -78.85 107.83 11.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.4 p -130.62 140.61 48.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.123 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.6 t -84.75 151.84 24.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -99.76 -33.38 10.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.404 ' HB3' ' NE2' ' A' ' 35' ' ' HIS . 0.6 OUTLIER -50.34 -60.56 2.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.954 -179.878 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -106.35 -47.1 3.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.14 30.1 1.66 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.495 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.537 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 12.5 tttp -85.75 127.64 34.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.548 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -91.33 156.61 17.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.065 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.44 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 86.4 m-85 -153.02 133.47 13.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.833 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.92 -29.93 66.42 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.48 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 71.9 mt -106.83 150.3 26.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.793 0.33 . . . . 0.0 110.942 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.42 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 48.2 t -66.14 -58.79 4.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.8 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.82 -48.99 15.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -44.71 -47.09 10.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.8 tp -62.43 -51.49 67.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.599 HG12 HH21 ' A' ' 30' ' ' ARG . 60.4 t -49.58 -45.87 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.599 HH21 HG12 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -69.44 -27.61 65.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.537 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 10.6 t60 -70.92 -54.74 10.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -42.87 -23.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 31' ' ' HIS . 68.5 mtp85 -52.15 -40.59 61.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.9 pt -55.94 -16.9 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.404 ' NE2' ' HB3' ' A' ' 17' ' ' TYR . 41.6 m-70 -93.64 -25.68 17.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.4 p -106.36 95.22 5.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.188 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.86 67.98 1.18 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.527 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -98.88 156.85 16.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.966 0.412 . . . . 0.0 110.906 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.4 pttp -88.98 147.67 39.31 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.601 0.715 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 80.19 0.91 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.685 2.257 . . . . 0.0 112.336 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 t -169.93 116.34 0.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.842 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.94 -156.04 13.53 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.488 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 -165.86 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.674 2.249 . . . . 0.0 112.296 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.7 m -99.75 44.49 1.02 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.5 m -106.97 75.12 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.872 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.141 -0.811 . . . . 0.0 112.488 -179.984 . . . . . . . . 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 -0.326 0 N-CA-C 112.429 -0.268 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 t -161.02 127.6 4.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.807 0.337 . . . . 0.0 110.898 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -150.7 172.24 15.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.8 -129.49 4.31 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.469 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.4 p -158.13 144.37 17.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.887 0.375 . . . . 0.0 110.877 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 t -80.76 83.63 6.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 8' ' ' SER . . . -51.02 144.68 12.2 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.465 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 7' ' ' GLY . 70.5 m -36.17 104.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.907 0.384 . . . . 0.0 110.877 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.51 102.63 2.54 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.504 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.41 95.0 3.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.908 0.385 . . . . 0.0 110.91 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.0 mttt -62.92 142.47 97.48 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.587 0.708 . . . . 0.0 110.876 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.503 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.77 -22.36 32.13 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.712 2.275 . . . . 0.0 112.31 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.503 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 83.8 m-85 -103.05 93.36 4.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.953 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 69.9 t -121.29 117.44 52.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.6 t -46.75 116.14 1.25 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -88.76 29.17 1.04 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.832 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.561 ' CE2' ' HB3' ' A' ' 35' ' ' HIS . 5.9 t80 -120.66 -48.27 2.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.934 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.0 p -119.99 -39.16 2.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.864 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.22 93.55 2.06 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.497 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.5 tttt -159.36 130.5 6.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.746 0.307 . . . . 0.0 110.974 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.67 145.8 26.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.103 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -134.99 -47.63 0.73 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.23 -10.16 74.16 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.5 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.4 tp -135.83 137.78 41.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.817 0.341 . . . . 0.0 110.906 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.565 ' O ' HG23 ' A' ' 29' ' ' VAL . 81.7 p -59.59 -49.64 76.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.05 -49.6 60.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -60.07 -53.13 61.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.7 tp -54.69 -43.8 72.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.977 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 25' ' ' SER . 79.1 t -58.95 -51.34 73.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.113 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 48.9 mtp85 -60.11 -15.21 21.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.909 ' O ' HG23 ' A' ' 34' ' ' ILE . 39.6 t60 -93.16 -54.49 3.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -52.77 -35.78 57.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.0 ptt180 -46.42 -21.01 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.909 HG23 ' O ' ' A' ' 31' ' ' HIS . 7.6 pt -71.0 -38.37 71.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.561 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 84.4 m-70 -79.43 11.54 2.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.0 p -146.3 146.01 30.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.144 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 175.47 41.01 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.511 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 49.93 42.58 24.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.923 0.392 . . . . 0.0 110.937 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.3 mmtt -118.37 153.7 51.85 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.528 0.68 . . . . 0.0 110.942 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 113.99 3.56 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.683 2.255 . . . . 0.0 112.341 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.1 t -67.24 -54.34 21.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.62 148.82 28.03 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.472 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.66 -19.5 36.51 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.68 2.254 . . . . 0.0 112.395 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.5 m -115.57 92.25 3.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.9 m -152.78 170.06 21.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 CA-C-O 119.139 -0.811 . . . . 0.0 112.522 -179.967 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.539 -0.224 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.0 m -117.77 104.71 11.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.371 . . . . 0.0 110.877 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 4' ' ' GLY . 42.5 m -111.22 98.92 7.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 36.93 -150.73 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.518 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.7 t -118.8 141.79 48.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.88 0.371 . . . . 0.0 110.873 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.7 p -82.74 83.24 7.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.53 111.39 2.48 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.477 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.5 m -80.46 160.89 25.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.914 0.388 . . . . 0.0 110.888 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -139.46 82.92 0.24 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.494 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -82.87 118.09 23.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.889 0.376 . . . . 0.0 110.919 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.2 mmtt -132.93 152.23 79.43 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.606 0.717 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.498 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.5 Cg_endo -69.84 -35.87 11.64 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.694 2.263 . . . . 0.0 112.358 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.498 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 39.5 m-85 -95.06 97.16 9.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 20' ' ' LYS . 1.4 p -113.03 135.29 52.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.149 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.415 ' HA ' HD11 ' A' ' 28' ' ' LEU . 39.8 t -67.33 124.85 24.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.61 29.26 1.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.541 ' CE2' ' HB3' ' A' ' 35' ' ' HIS . 2.0 t80 -117.59 -44.12 2.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.8 p -115.74 -46.55 2.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.98 36.59 0.7 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.493 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.45 ' O ' HG23 ' A' ' 14' ' ' VAL . 7.3 mtpm? -104.0 147.64 27.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.826 0.346 . . . . 0.0 110.873 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.77 148.28 25.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.086 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -138.55 127.28 23.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.96 -21.0 75.14 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.519 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 43.6 mt -123.64 146.6 48.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.813 0.339 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 63.3 p -61.49 -56.28 21.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.08 -42.48 60.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.098 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.406 ' OE1' ' N ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -54.17 -33.27 57.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.415 HD11 ' HA ' ' A' ' 15' ' ' CYS . 16.0 tp -76.93 -54.94 5.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.925 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.0 t -52.1 -43.22 37.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -67.17 -22.84 65.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.411 ' C ' ' N ' ' A' ' 33' ' ' ARG . 10.5 t60 -81.88 -48.7 11.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -45.54 -21.08 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.411 ' N ' ' C ' ' A' ' 31' ' ' HIS . 23.7 mtp85 -51.41 -41.44 60.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.8 pt -63.45 -18.72 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.541 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 42.4 m-70 -90.83 -15.42 30.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 71.5 p -116.1 85.33 2.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 149.38 76.99 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.49 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -91.43 -19.82 22.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.923 0.392 . . . . 0.0 110.905 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.9 pttm -124.13 149.68 61.16 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.592 0.71 . . . . 0.0 110.871 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -17.38 37.83 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.635 2.223 . . . . 0.0 112.374 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.8 m -104.24 130.71 52.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -115.79 67.64 0.29 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -10.73 29.29 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.692 2.261 . . . . 0.0 112.339 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.5 t -139.63 153.82 47.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.0 m 62.5 40.53 10.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 CA-C-O 119.105 -0.831 . . . . 0.0 112.488 -179.963 . . . . . . . . 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 -0.314 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 3' ' ' SER . 12.7 t -159.02 107.15 1.84 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.897 0.38 . . . . 0.0 110.886 -179.736 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 2' ' ' SER . 27.8 m -34.71 -46.66 0.3 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.793 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.74 -48.22 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.517 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.8 p -38.42 121.24 0.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.879 0.371 . . . . 0.0 110.854 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.1 m -84.07 48.7 1.51 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.8 -172.89 0.9 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.494 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 99.3 p -137.38 162.32 33.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.931 0.396 . . . . 0.0 110.834 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 116.08 74.07 0.54 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.454 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -149.3 130.74 14.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.873 0.368 . . . . 0.0 110.888 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.502 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 17.2 mmtp -86.52 142.76 35.34 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.569 0.7 . . . . 0.0 110.896 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.567 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.78 -50.72 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.644 2.229 . . . . 0.0 112.381 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.567 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 28.4 m-85 -74.8 102.74 4.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 43.9 t -119.0 108.61 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.108 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.4 t -54.89 112.85 1.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -73.58 -15.49 61.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.493 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 3.1 t80 -65.2 -60.55 2.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.6 p -104.97 -34.17 8.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.13 37.62 2.29 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.491 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.463 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 27.1 mttm -95.0 172.23 8.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.799 0.333 . . . . 0.0 110.925 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.502 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -123.31 154.87 38.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.491 ' CG ' ' O ' ' A' ' 21' ' ' ALA . 59.6 m-85 -159.88 126.13 4.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.19 -37.81 81.85 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.467 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.596 HD12 ' HB3' ' A' ' 26' ' ' ALA . 0.5 OUTLIER -98.48 130.59 45.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.846 0.355 . . . . 0.0 110.906 -179.92 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.499 ' HB2' ' CZ ' ' A' ' 13' ' ' TYR . 14.5 t -49.75 -58.28 5.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.596 ' HB3' HD12 ' A' ' 24' ' ' LEU . . . -39.22 -57.28 1.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.117 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -39.29 -47.97 1.77 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.505 HD22 ' HB3' ' A' ' 13' ' ' TYR . 29.9 tp -63.98 -50.01 70.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.92 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.8 t -55.56 -40.79 60.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -80.33 -28.11 38.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.465 ' O ' ' N ' ' A' ' 33' ' ' ARG . 10.6 t60 -69.61 -57.21 5.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -40.36 -25.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 31' ' ' HIS . 30.3 mtp180 -50.43 -43.98 55.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.4 HG13 ' N ' ' A' ' 35' ' ' HIS . 8.0 pt -50.15 -21.55 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.167 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.493 ' HB3' ' CZ ' ' A' ' 17' ' ' TYR . 48.8 m-70 -86.05 -28.83 23.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.822 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 36.5 p -90.11 -61.95 1.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.097 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.82 -168.75 1.34 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.465 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -95.32 71.66 3.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.88 0.371 . . . . 0.0 110.913 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.475 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 21.8 tttm -131.7 140.63 38.9 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.604 0.716 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.475 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 53.6 Cg_endo -69.79 -7.81 22.0 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.715 2.277 . . . . 0.0 112.31 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.5 m -83.19 39.01 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.795 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -152.82 157.27 27.2 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 97.58 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.638 2.225 . . . . 0.0 112.327 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 54.5 p -108.86 44.95 1.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.825 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.7 t -116.65 151.38 36.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.472 -179.968 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.0 m -101.63 120.57 40.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.897 0.379 . . . . 0.0 110.857 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.0 p -157.93 109.44 2.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.873 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 42.18 91.0 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.458 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.1 t -85.43 90.69 8.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.905 0.383 . . . . 0.0 110.847 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.6 t -117.53 -56.35 2.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.856 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 56.37 43.12 89.94 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.468 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.4 m -100.49 85.36 2.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.888 0.375 . . . . 0.0 110.867 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . 81.62 68.56 1.45 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 9' ' ' GLY . 1.8 mp0 -37.67 129.47 1.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.898 0.38 . . . . 0.0 110.88 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.614 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 42.6 mmtt -53.61 152.99 8.4 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.537 0.684 . . . . 0.0 110.923 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.489 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.76 -37.01 9.74 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.646 2.231 . . . . 0.0 112.346 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.581 ' HB3' HD22 ' A' ' 28' ' ' LEU . 67.2 m-85 -89.67 118.33 29.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 97.5 t -122.48 126.2 73.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.156 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.484 ' HA ' HD11 ' A' ' 28' ' ' LEU . 52.2 t -63.36 114.13 3.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -81.3 42.38 0.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.559 ' CD1' ' CE1' ' A' ' 35' ' ' HIS . 4.2 t80 -134.56 -52.93 0.82 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.946 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.8 p -112.2 -43.9 3.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.32 52.69 0.28 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt -108.88 172.31 6.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.329 . . . . 0.0 110.917 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.614 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -125.36 148.22 48.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.446 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 48.1 m-85 -149.6 132.81 16.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.0 -36.58 46.18 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.463 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' A' ' 24' ' ' LEU . 4.4 mm? -102.34 142.54 33.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.797 0.332 . . . . 0.0 110.916 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.2 p -59.18 -44.39 92.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.02 -42.73 85.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.112 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -52.95 -44.48 67.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.581 HD22 ' HB3' ' A' ' 13' ' ' TYR . 44.3 tp -67.31 -43.83 80.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.1 t -60.55 -47.58 92.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.167 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.482 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 12.1 ptp180 -65.18 -39.08 92.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.482 ' O ' ' N ' ' A' ' 33' ' ' ARG . 12.3 t60 -61.0 -57.45 12.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.832 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 31' ' ' HIS . 44.1 mt-30 -36.31 -30.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.942 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.482 ' CG ' ' O ' ' A' ' 30' ' ' ARG . 2.2 mmp_? -46.69 -47.92 20.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.479 HG13 ' N ' ' A' ' 35' ' ' HIS . 29.8 pt -43.11 -33.66 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.559 ' CE1' ' CD1' ' A' ' 17' ' ' TYR . 92.4 m-70 -82.16 -28.93 31.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.477 ' N ' ' O ' ' A' ' 33' ' ' ARG . 2.7 t -155.1 116.75 4.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.18 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.19 41.76 0.58 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.52 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.411 ' CD ' ' HA ' ' A' ' 34' ' ' ILE . 21.3 pt-20 -173.85 168.15 4.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.954 0.407 . . . . 0.0 110.895 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.9 mptt -55.97 143.9 60.29 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.566 0.698 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 127.66 14.95 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.698 2.266 . . . . 0.0 112.324 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.7 m -121.34 -48.88 2.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 177.04 75.57 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.48 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -42.16 3.68 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.665 2.244 . . . . 0.0 112.389 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.7 t -66.91 129.5 40.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 37.9 p -110.34 -55.44 2.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.504 179.995 . . . . . . . . 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 -0.319 0 N-CA-C 112.439 -0.264 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.3 t -163.68 113.41 1.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.932 0.396 . . . . 0.0 110.849 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t -174.51 175.43 2.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.05 -168.77 14.07 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.492 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.7 m -125.2 101.18 6.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.896 0.379 . . . . 0.0 110.85 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.6 p -120.43 85.88 2.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.52 78.96 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.471 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 99.1 p -58.59 122.15 12.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.87 0.367 . . . . 0.0 110.865 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 71.24 132.22 0.1 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -110.52 177.01 4.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.929 0.395 . . . . 0.0 110.886 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.478 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 0.1 OUTLIER -93.28 143.67 27.08 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.568 0.699 . . . . 0.0 110.917 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.438 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.73 -39.18 6.88 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.658 2.238 . . . . 0.0 112.353 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.438 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 77.3 m-85 -87.82 95.46 10.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.8 p -122.43 123.92 69.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.147 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 30.0 t -59.18 115.38 3.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -80.82 2.34 26.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.839 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -87.85 -52.2 5.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.3 p -109.01 -48.76 3.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.89 42.27 0.34 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.483 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.552 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 72.3 mttt -103.36 141.14 36.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.764 0.316 . . . . 0.0 110.919 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.44 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -96.6 151.93 19.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.074 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.484 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 72.0 m-85 -153.95 130.1 10.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.478 ' N ' ' HG2' ' A' ' 11' ' ' LYS . . . -88.62 32.11 4.64 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.51 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.8 tp -167.77 138.01 2.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.841 0.353 . . . . 0.0 110.92 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 93.7 p -56.35 -54.41 45.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.17 -45.25 61.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.066 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -52.79 -44.95 66.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.3 tp -69.19 -59.51 2.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.8 t -47.58 -47.43 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.168 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 -61.15 -32.21 71.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.552 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 22.3 t60 -72.19 -52.01 18.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -41.31 -24.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 31' ' ' HIS . 38.6 mtt85 -49.45 -42.64 43.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.424 HD11 ' CE1' ' A' ' 31' ' ' HIS . 20.7 pt -60.56 -28.21 42.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -83.88 -10.93 57.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 71.4 p -124.25 177.28 5.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 101.53 -110.57 3.88 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.46 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -38.7 112.92 0.26 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.914 0.387 . . . . 0.0 110.87 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.74 69.28 1.08 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.593 0.711 . . . . 0.0 110.913 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 96.75 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.678 2.252 . . . . 0.0 112.321 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 57.9 m -52.53 160.15 0.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 61.4 171.72 0.96 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.483 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 175.1 8.5 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.704 2.269 . . . . 0.0 112.384 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.2 m -157.23 139.79 14.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.871 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.6 m -41.41 122.8 1.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.473 179.998 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 1' ' ' GLY . 80.4 p 37.79 42.37 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.898 0.38 . . . . 0.0 110.882 -179.719 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.4 t -103.23 153.31 20.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.18 46.71 0.69 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.447 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.4 m -79.86 138.07 37.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.894 0.378 . . . . 0.0 110.822 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.6 p -72.59 137.69 46.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.36 58.15 4.91 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.505 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 72.1 m -119.63 171.85 8.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.917 0.389 . . . . 0.0 110.856 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.08 61.84 0.53 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.505 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -90.95 133.06 35.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.925 0.393 . . . . 0.0 110.888 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.779 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -142.31 143.7 28.24 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.561 0.695 . . . . 0.0 110.942 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.515 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.8 Cg_endo -69.76 -50.73 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.632 2.221 . . . . 0.0 112.377 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.515 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 35.4 m-85 -73.91 114.1 11.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.8 t -125.94 109.0 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.095 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.7 t -46.74 133.62 10.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -96.44 32.1 2.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.572 ' CE2' ' HB3' ' A' ' 35' ' ' HIS . 3.2 t80 -124.41 -58.1 1.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -106.07 -48.5 3.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.51 24.65 1.38 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.469 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.596 ' HD2' ' CZ ' ' A' ' 22' ' ' PHE . 0.4 OUTLIER -86.34 129.7 34.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.776 0.322 . . . . 0.0 110.9 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.779 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -91.13 154.43 19.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.596 ' CZ ' ' HD2' ' A' ' 20' ' ' LYS . 91.2 m-85 -145.31 140.44 27.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.842 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -78.27 -21.98 68.97 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.505 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -116.41 162.72 17.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.811 0.339 . . . . 0.0 110.911 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.485 ' HB3' ' CZ ' ' A' ' 13' ' ' TYR . 89.7 p -81.4 -36.19 29.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.403 ' HB1' HH11 ' A' ' 30' ' ' ARG . . . -66.84 -41.17 87.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.065 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -53.99 -46.61 71.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.4 tp -57.9 -53.95 52.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.0 t -50.09 -46.41 24.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.087 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.496 ' O ' ' CZ ' ' A' ' 33' ' ' ARG . 0.9 OUTLIER -69.98 -22.74 63.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.816 -179.895 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.498 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 5.2 t60 -77.75 -52.7 8.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -44.76 -22.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.496 ' CZ ' ' O ' ' A' ' 30' ' ' ARG . 17.8 mtm105 -54.4 -42.86 70.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 19.0 pt -49.43 -27.02 2.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.14 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.572 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 39.6 m-70 -84.68 -27.35 27.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.816 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -148.84 127.31 12.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.18 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.05 -87.9 0.2 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.496 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -88.76 114.46 25.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.928 0.394 . . . . 0.0 110.86 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.5 mmtm -42.8 138.81 2.21 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.565 0.698 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 94.16 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.672 2.248 . . . . 0.0 112.359 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.6 m -93.93 107.94 19.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.846 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.91 150.97 7.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.521 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 88.03 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.657 2.238 . . . . 0.0 112.385 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.7 t -112.73 -179.92 3.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.9 m 60.04 50.36 6.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.447 -179.978 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -77.77 127.84 33.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.89 0.376 . . . . 0.0 110.836 -179.709 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.6 t -115.73 -50.38 2.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.85 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.82 126.93 7.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.491 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.0 p -163.08 142.29 8.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.845 0.355 . . . . 0.0 110.862 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 m -147.94 165.17 31.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.94 89.37 0.54 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.531 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.0 t -143.55 140.62 30.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.885 0.374 . . . . 0.0 110.868 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.36 100.15 1.66 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.496 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -108.74 178.07 4.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.914 0.387 . . . . 0.0 110.905 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.459 ' HD2' ' CA ' ' A' ' 23' ' ' GLY . 25.3 mmtp -135.2 149.13 69.17 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.6 0.714 . . . . 0.0 110.883 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.46 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.81 -46.15 1.31 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.673 2.249 . . . . 0.0 112.357 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.46 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 59.4 m-85 -80.96 149.21 29.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.68 HG13 ' O ' ' A' ' 20' ' ' LYS . 97.8 t -155.35 129.06 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.131 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.5 t -77.52 78.46 4.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -39.09 -32.02 0.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -47.2 -64.52 0.76 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.937 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.0 p -99.69 -44.91 5.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.04 35.29 0.78 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.68 ' O ' HG13 ' A' ' 14' ' ' VAL . 28.4 tttm -94.87 167.74 11.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.794 0.331 . . . . 0.0 110.942 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.447 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -118.66 152.75 35.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.075 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.558 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 7.9 m-85 -153.86 137.8 16.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.889 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.459 ' CA ' ' HD2' ' A' ' 11' ' ' LYS . . . -77.52 -33.8 42.06 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.562 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.5 mp -107.89 171.57 7.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.823 0.345 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 39.1 p -82.18 -51.96 7.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.97 -43.09 69.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -54.41 -40.2 68.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.3 tp -69.03 -49.39 58.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.6 t -59.28 -41.61 84.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.79 -25.89 65.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.76 ' O ' HD12 ' A' ' 34' ' ' ILE . 7.4 t60 -73.56 -49.27 27.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -52.27 -15.8 0.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -52.7 -37.15 58.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.76 HD12 ' O ' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -65.49 -18.4 23.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.094 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.566 ' N ' HD13 ' A' ' 34' ' ' ILE . 26.9 m-70 -83.92 -21.91 31.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 75.5 p -105.1 110.16 22.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.141 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.36 -118.09 3.75 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.486 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -103.32 173.18 6.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.927 0.394 . . . . 0.0 110.853 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.0 82.7 29.3 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.538 0.685 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -45.44 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.685 2.257 . . . . 0.0 112.33 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.5 m -144.36 136.37 26.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -85.92 146.13 21.15 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.462 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 115.75 4.23 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.67 2.247 . . . . 0.0 112.391 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.1 p -95.24 -45.19 7.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.3 t -75.05 -53.25 9.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.843 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 CA-C-O 119.159 -0.8 . . . . 0.0 112.495 -179.975 . . . . . . . . 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 -0.304 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.7 m -110.55 90.1 3.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.846 0.355 . . . . 0.0 110.825 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.0 m -96.09 -61.57 1.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.849 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.17 62.31 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -80.99 100.43 8.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.887 0.375 . . . . 0.0 110.861 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -148.74 152.16 36.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.14 43.92 3.08 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.502 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 95.1 p -155.93 161.61 40.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.904 0.383 . . . . 0.0 110.877 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . 85.24 -34.74 3.22 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.522 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 9' ' ' GLY . 8.3 mt-10 -37.0 122.18 0.82 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.908 0.385 . . . . 0.0 110.881 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.634 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 47.2 mmtt -60.39 143.9 88.89 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.554 0.693 . . . . 0.0 110.94 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.467 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.8 Cg_endo -69.73 -49.85 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.665 2.244 . . . . 0.0 112.356 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.554 ' HB3' HD22 ' A' ' 28' ' ' LEU . 37.4 m-85 -75.86 112.35 12.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 93.1 t -127.07 130.67 71.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.085 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.436 ' SG ' ' N ' ' A' ' 16' ' ' ASP . 1.6 t -71.51 157.39 38.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.436 ' N ' ' SG ' ' A' ' 15' ' ' CYS . 44.4 m-20 -101.52 -36.24 8.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.416 ' HB3' ' NE2' ' A' ' 35' ' ' HIS . 6.4 t80 -52.11 -66.79 0.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.4 p -98.73 -46.93 5.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.43 22.11 3.83 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.478 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.595 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -70.29 151.78 44.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.768 0.318 . . . . 0.0 110.927 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.634 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -110.75 146.36 36.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.094 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.595 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 95.5 m-85 -143.83 141.94 30.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -92.59 25.55 18.12 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.536 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 46.9 tp -165.08 123.55 1.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.792 0.329 . . . . 0.0 110.925 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.468 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 43.6 t -43.72 -52.9 6.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.94 -50.55 14.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -55.9 -45.52 78.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.554 HD22 ' HB3' ' A' ' 13' ' ' TYR . 34.2 tp -62.23 -55.94 23.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.933 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 64.5 t -55.79 -37.75 48.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -78.89 -20.64 48.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.453 ' CG ' ' CE2' ' A' ' 22' ' ' PHE . 11.9 t60 -74.57 -46.29 39.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -48.64 -19.39 0.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 34.2 mtp85 -57.55 -41.44 81.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.8 pt -56.11 -20.09 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.416 ' NE2' ' HB3' ' A' ' 17' ' ' TYR . 49.5 m-70 -88.8 -24.47 22.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.811 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 80.7 p -110.2 104.95 13.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.159 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 159.81 -149.22 18.71 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -128.75 161.27 30.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.947 0.403 . . . . 0.0 110.879 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.439 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 18.4 pttt -122.16 54.05 5.04 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.562 0.696 . . . . 0.0 110.917 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.439 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 54.0 Cg_endo -69.74 -44.52 2.04 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.714 2.276 . . . . 0.0 112.342 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 55.6 m -87.68 -72.35 0.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -143.97 146.23 16.6 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.459 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 112.65 3.13 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.707 2.271 . . . . 0.0 112.358 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.6 t -50.22 103.13 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.845 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.7 t -62.87 149.97 43.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.152 -0.805 . . . . 0.0 112.471 179.978 . . . . . . . . 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 -0.35 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t -57.53 141.49 47.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.872 0.367 . . . . 0.0 110.858 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.1 p -78.94 -53.56 6.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.875 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.32 -102.2 0.19 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.437 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -73.23 96.22 2.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.868 0.366 . . . . 0.0 110.846 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.3 m -72.45 93.22 1.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.37 54.68 0.65 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.528 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.6 t -110.81 132.82 53.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.894 0.378 . . . . 0.0 110.883 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.14 -127.43 4.89 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.437 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -167.96 146.3 4.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.916 0.389 . . . . 0.0 110.899 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.5 mmtm -147.09 149.17 34.53 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.573 0.701 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.477 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.77 -22.42 32.05 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.688 2.258 . . . . 0.0 112.347 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.477 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 69.9 m-85 -98.69 87.22 3.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.6 t -110.39 115.65 50.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.128 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.9 t -44.74 153.63 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -107.56 -28.48 9.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.83 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.551 ' HB3' ' CD2' ' A' ' 35' ' ' HIS . 2.2 t80 -60.79 -51.54 68.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.9 p -117.57 -42.95 2.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.61 85.69 1.78 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.51 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.6 ttpp -142.17 131.81 24.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.778 0.323 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.93 143.61 32.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.095 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -132.99 -73.55 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 125.12 -30.01 4.68 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.446 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 25' ' ' SER . 3.8 mm? -119.65 111.15 17.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.787 0.327 . . . . 0.0 110.958 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.562 ' O ' HG23 ' A' ' 29' ' ' VAL . 31.2 t -34.55 -52.11 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.37 -60.3 2.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.105 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -49.61 -48.8 48.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.0 tp -55.89 -46.23 78.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 25' ' ' SER . 92.9 t -54.5 -54.69 20.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.086 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 86.3 mtt-85 -55.14 -19.71 8.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.427 ' O ' HG23 ' A' ' 34' ' ' ILE . 28.5 t60 -88.69 -56.31 3.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -46.04 -22.95 0.25 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -75.04 -36.37 61.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.434 HD11 ' CE1' ' A' ' 35' ' ' HIS . 1.5 pp -50.14 -28.1 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.551 ' CD2' ' HB3' ' A' ' 17' ' ' TYR . 76.7 m-70 -72.25 -29.12 63.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.535 ' O ' HG23 ' A' ' 36' ' ' THR . 6.6 t -135.72 109.49 8.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.153 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 123.57 76.91 0.34 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.452 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -94.53 150.14 20.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.917 0.389 . . . . 0.0 110.91 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -85.88 144.14 38.88 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.539 0.685 . . . . 0.0 110.956 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 89.79 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.632 2.221 . . . . 0.0 112.376 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 77.6 p -64.42 146.89 53.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.75 162.02 37.35 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.486 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.2 Cg_endo -69.85 2.81 3.24 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.671 2.247 . . . . 0.0 112.313 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 43' ' ' PRO . 77.3 p -34.57 128.84 0.43 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 72.5 p -77.67 102.54 7.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.838 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 119.166 -0.797 . . . . 0.0 112.456 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.8 p -128.62 121.82 29.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.878 0.371 . . . . 0.0 110.861 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -171.58 165.17 6.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.41 36.52 2.77 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.496 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.0 p -47.35 -50.38 22.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 110.836 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.5 m -48.85 142.16 6.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.848 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.63 -76.54 0.27 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.469 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 94.3 p -64.87 122.12 16.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.905 0.383 . . . . 0.0 110.826 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -141.72 -161.22 8.64 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.475 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 51.44 49.26 21.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.909 0.385 . . . . 0.0 110.898 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.88 143.92 5.9 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.6 0.714 . . . . 0.0 110.852 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.505 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.76 -37.33 9.33 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.68 2.253 . . . . 0.0 112.32 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.505 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 29.2 m-85 -93.56 97.11 10.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 20' ' ' LYS . 4.8 p -126.14 120.71 57.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.167 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.495 ' SG ' ' NE2' ' A' ' 32' ' ' GLN . 47.0 t -60.12 134.8 57.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -89.95 -32.96 16.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.877 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.408 ' HB3' ' NE2' ' A' ' 35' ' ' HIS . 0.8 OUTLIER -49.65 -56.82 8.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.825 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.5 p -102.12 -47.63 4.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.37 38.7 0.91 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.646 ' O ' HG23 ' A' ' 14' ' ' VAL . 16.8 mtpt -97.15 147.0 24.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.78 0.324 . . . . 0.0 110.935 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.07 141.84 30.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.12 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.535 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 30.3 m-85 -144.42 136.34 26.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -85.41 -27.69 32.25 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.482 ' CB ' ' OE2' ' A' ' 27' ' ' GLU . 39.0 mt -107.23 128.96 54.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.841 0.353 . . . . 0.0 110.919 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.481 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 30.5 t -50.48 -52.28 39.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.459 ' HB1' HH21 ' A' ' 30' ' ' ARG . . . -53.37 -43.39 67.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.102 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.482 ' OE2' ' CB ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -56.41 -35.78 68.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.459 HD11 HE21 ' A' ' 32' ' ' GLN . 19.2 tp -73.84 -47.44 38.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.947 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 71.5 t -59.51 -51.35 73.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.161 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 30' ' ' ARG . 4.5 ptp180 -59.17 -28.77 66.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.759 ' O ' HD12 ' A' ' 34' ' ' ILE . 7.0 t60 -72.09 -48.7 42.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.495 ' NE2' ' SG ' ' A' ' 15' ' ' CYS . 31.0 mm-40 -49.49 -17.55 0.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 47.0 mtt180 -53.22 -36.37 60.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.759 HD12 ' O ' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -65.73 -17.31 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.564 ' N ' HD13 ' A' ' 34' ' ' ILE . 29.0 m-70 -89.77 -3.4 58.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.828 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 73.5 p -128.73 130.56 47.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.098 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.8 -78.86 0.42 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.497 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -56.18 130.26 43.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.902 0.382 . . . . 0.0 110.902 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.9 mtpt -131.91 144.18 52.16 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.552 0.691 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -23.38 30.73 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.729 2.286 . . . . 0.0 112.294 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.2 t -165.46 -178.76 5.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.911 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.52 167.22 41.13 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.486 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 104.51 1.34 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.678 2.252 . . . . 0.0 112.352 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.5 m -54.39 -57.61 10.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.7 m -70.58 100.63 1.86 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.838 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.454 179.982 . . . . . . . . 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 1.451 -0.304 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.3 p -58.3 150.09 22.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.839 0.352 . . . . 0.0 110.862 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.6 m -133.56 41.91 3.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.99 119.37 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.452 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.9 t -54.93 119.49 5.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.913 0.387 . . . . 0.0 110.847 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -80.25 -44.75 19.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.09 72.21 2.65 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.482 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.6 t -93.05 127.67 38.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.938 0.399 . . . . 0.0 110.843 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -94.81 73.79 0.99 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.501 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -81.06 90.6 6.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.925 0.393 . . . . 0.0 110.907 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.401 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 23.8 mmtm -78.52 151.25 77.32 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.544 0.688 . . . . 0.0 110.893 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -36.29 11.05 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.71 2.273 . . . . 0.0 112.332 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -90.14 106.47 18.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.5 t -117.48 123.92 72.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.147 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 52.1 t -74.25 82.11 1.84 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -42.4 -25.79 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.422 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 2.1 t80 -51.86 -65.44 0.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.9 p -104.19 -41.71 5.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.0 36.13 0.78 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.505 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.506 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 7.0 tptp -94.19 156.31 16.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.8 0.333 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.401 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -113.87 147.36 38.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.096 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.506 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 27.3 m-85 -151.28 131.54 13.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.85 -39.36 55.08 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -101.6 139.79 36.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.819 0.342 . . . . 0.0 110.927 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 34.4 p -56.42 -55.11 37.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.22 -45.88 8.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -52.7 -43.43 65.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.2 tp -63.15 -39.45 94.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.7 t -61.97 -56.17 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.43 ' NH1' ' HB2' ' A' ' 30' ' ' ARG . 26.1 mtm105 -61.15 -11.58 9.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.778 ' O ' HG23 ' A' ' 34' ' ' ILE . 20.8 t60 -92.54 -61.94 1.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -43.65 -35.95 1.97 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.4 ptt85 -45.65 -40.03 8.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.778 HG23 ' O ' ' A' ' 31' ' ' HIS . 12.9 pt -47.95 -35.73 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.422 ' HB3' ' CZ ' ' A' ' 17' ' ' TYR . 59.7 m-70 -78.98 -23.53 44.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.8 t -133.97 103.32 5.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.154 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -170.7 -49.18 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.459 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -99.59 133.45 43.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.984 0.421 . . . . 0.0 110.836 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.9 ttpp -55.48 130.87 70.59 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.542 0.687 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 110.89 2.66 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.632 2.221 . . . . 0.0 112.406 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 87.3 p -99.1 78.45 2.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.27 149.72 41.08 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.467 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.4 Cg_endo -69.8 -42.69 3.15 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.704 2.269 . . . . 0.0 112.295 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 43' ' ' PRO . 43.3 t -34.72 -63.25 0.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 26.1 t -60.44 95.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.49 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.408 ' HD2' ' CA ' ' A' ' 23' ' ' GLY . 34.0 mmtt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.554 0.692 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.458 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.8 Cg_endo -69.77 -22.49 31.98 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.71 2.273 . . . . 0.0 112.328 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.458 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 72.9 m-85 -106.09 82.53 1.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.767 HG23 ' O ' ' A' ' 20' ' ' LYS . 5.8 p -110.79 133.55 55.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.097 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.0 t -71.07 153.16 42.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -101.76 -39.36 7.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.421 ' HB3' ' NE2' ' A' ' 35' ' ' HIS . 1.2 t80 -43.67 -60.86 1.6 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.944 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.9 p -101.67 -44.86 5.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.71 37.57 1.27 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.463 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.767 ' O ' HG23 ' A' ' 14' ' ' VAL . 31.9 tttt -90.49 150.73 21.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.759 0.314 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.76 136.9 44.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.112 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.54 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 18.7 m-85 -137.84 131.11 30.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.408 ' CA ' ' HD2' ' A' ' 11' ' ' LYS . . . -71.42 -40.55 59.99 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.481 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.7 HD23 ' HB3' ' A' ' 26' ' ' ALA . 6.8 tp -110.16 140.6 44.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.803 0.335 . . . . 0.0 110.927 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 88.3 p -52.31 -46.59 66.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.7 ' HB3' HD23 ' A' ' 24' ' ' LEU . . . -47.87 -44.62 29.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.1 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -63.5 -35.77 81.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.1 tp -70.49 -45.93 64.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.5 t -60.16 -58.52 6.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.099 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -51.97 -32.47 33.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.469 ' O ' ' N ' ' A' ' 33' ' ' ARG . 12.2 t60 -68.75 -54.05 18.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -40.01 -25.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 31' ' ' HIS . 84.3 mtt180 -47.29 -47.79 25.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.484 HG13 ' N ' ' A' ' 35' ' ' HIS . 20.9 pt -50.04 -29.77 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.484 ' N ' HG13 ' A' ' 34' ' ' ILE . 58.5 m-70 -81.77 -28.64 33.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.6 p . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.146 -179.891 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.424 ' HD3' ' C ' ' A' ' 22' ' ' PHE . 54.9 mttm . . . . . 0 C--O 1.232 0.155 0 CA-C-O 121.559 0.695 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.57 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.4 Cg_endo -69.77 -37.85 8.58 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.709 2.272 . . . . 0.0 112.36 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.57 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 11.0 m-85 -92.15 104.38 16.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.8 p -135.99 122.16 30.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.102 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.406 ' HB2' ' CD1' ' A' ' 28' ' ' LEU . 12.9 t -68.32 134.66 50.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -88.89 -30.09 19.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.539 ' CE2' ' HB3' ' A' ' 35' ' ' HIS . 2.0 t80 -48.74 -51.6 28.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -112.79 -47.03 3.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.846 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.23 42.76 0.58 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.444 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.531 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 51.4 mttt -100.11 137.55 38.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.773 0.32 . . . . 0.0 110.909 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.42 ' HB1' ' HD2' ' A' ' 11' ' ' LYS . . . -92.96 151.19 20.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.094 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.465 ' N ' ' O ' ' A' ' 13' ' ' TYR . 78.8 m-85 -150.18 128.87 12.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.881 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.422 ' C ' HD12 ' A' ' 24' ' ' LEU . . . -80.99 9.49 53.03 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.422 HD12 ' C ' ' A' ' 23' ' ' GLY . 4.3 mp -142.46 158.29 43.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.869 0.366 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.466 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 20.6 t -78.26 -50.33 12.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.03 -39.38 71.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.141 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -55.9 -52.24 64.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.406 ' CD1' ' HB2' ' A' ' 15' ' ' CYS . 41.9 tp -60.51 -51.39 69.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.5 t -50.91 -59.43 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.179 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.1 mtp180 -51.22 -38.84 54.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.531 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 12.2 t60 -66.38 -51.43 57.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -38.92 -26.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 31' ' ' HIS . 25.7 mtt85 -49.25 -45.5 44.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.477 HG13 ' N ' ' A' ' 35' ' ' HIS . 15.8 pt -51.43 -28.32 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.539 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 80.1 m-70 -92.63 24.0 3.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.6 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 -179.911 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.4 mmpt? . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.618 0.723 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.552 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.8 Cg_endo -69.8 -40.69 4.97 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.674 2.249 . . . . 0.0 112.352 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.552 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 40.7 m-85 -87.59 99.34 11.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.97 HG13 ' O ' ' A' ' 20' ' ' LYS . 98.1 t -114.12 114.57 47.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.103 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.1 t -46.75 133.13 10.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -98.16 8.35 44.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.413 ' HB3' ' CD2' ' A' ' 35' ' ' HIS . 4.2 t80 -98.13 -42.63 7.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.7 p -117.01 -46.74 2.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.42 47.22 0.47 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.474 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.97 ' O ' HG13 ' A' ' 14' ' ' VAL . 28.7 mttp -101.68 -175.05 2.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.772 0.32 . . . . 0.0 110.893 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.81 141.0 44.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -145.26 130.31 18.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.39 -21.38 79.64 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.43 HD13 ' HA ' ' A' ' 24' ' ' LEU . 3.5 mm? -117.63 142.03 47.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.82 0.343 . . . . 0.0 110.895 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.442 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 12.0 t -58.34 -58.41 8.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.75 -48.49 29.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.112 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -50.18 -36.09 28.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.826 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.467 HD22 ' HB3' ' A' ' 13' ' ' TYR . 21.8 tp -74.02 -46.05 45.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.7 t -58.37 -48.51 84.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.175 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -31.15 72.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.404 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 21.6 t60 -66.53 -41.85 88.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -60.54 -11.87 8.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -62.45 -28.13 69.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.834 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.8 pt -76.9 -20.46 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.413 ' CD2' ' HB3' ' A' ' 17' ' ' TYR . 19.8 m-70 -79.72 -23.04 42.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 45.3 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 -179.844 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.475 ' HD2' ' CA ' ' A' ' 23' ' ' GLY . 25.2 mmtt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.605 0.717 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.531 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.73 -44.45 2.09 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.648 2.232 . . . . 0.0 112.349 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.531 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 46.1 m-85 -85.53 95.95 9.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.93 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 20' ' ' LYS . 6.4 p -126.23 120.13 55.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.137 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.1 t -58.42 131.96 52.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -89.89 -19.99 23.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -63.36 -52.36 62.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -105.32 -47.68 3.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.836 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.96 33.34 1.16 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.498 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.72 ' O ' HG23 ' A' ' 14' ' ' VAL . 37.5 mttt -93.82 147.89 22.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.811 0.338 . . . . 0.0 110.904 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.5 143.84 31.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.147 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.438 ' N ' ' O ' ' A' ' 13' ' ' TYR . 50.4 m-85 -143.58 133.75 24.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.873 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.475 ' CA ' ' HD2' ' A' ' 11' ' ' LYS . . . -76.14 -34.49 46.53 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.9 tp -106.77 142.69 36.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.82 0.343 . . . . 0.0 110.891 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 26' ' ' ALA . 1.4 t -61.53 -63.62 1.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -35.75 -42.3 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -57.16 -51.77 68.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 42.0 tp -61.82 -55.91 24.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.4 t -48.47 -47.36 14.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.087 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -70.62 -25.75 63.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -72.86 -50.31 24.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.826 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -49.34 -19.36 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -56.94 -30.91 64.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.832 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.0 pt -67.95 -18.78 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 52.1 m-70 -90.81 -21.84 21.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 20.6 p . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.168 -179.928 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.545 0.688 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.51 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.72 -38.49 7.81 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.644 2.229 . . . . 0.0 112.34 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.51 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 28.0 m-85 -93.49 97.11 10.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.953 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.6 p -125.0 129.19 73.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.122 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.9 t -66.82 139.31 57.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.07 -25.07 18.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -58.18 -55.77 30.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -106.05 -46.64 4.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.85 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.89 35.26 1.16 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.516 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.51 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 17.5 ttmt -93.26 131.96 37.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.763 0.316 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.74 139.73 30.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.103 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.51 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 57.8 m-85 -137.1 133.48 35.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -76.06 -24.4 69.15 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.486 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.611 HD23 ' N ' ' A' ' 25' ' ' SER . 3.0 tt -115.88 136.77 52.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.861 0.362 . . . . 0.0 110.914 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.611 ' N ' HD23 ' A' ' 24' ' ' LEU . 19.4 t -57.41 -56.05 26.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.597 ' HB3' HD22 ' A' ' 24' ' ' LEU . . . -43.31 -40.99 3.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.119 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -62.93 -39.36 94.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.7 tp -71.4 -45.07 63.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 99.8 t -62.72 -41.51 92.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.108 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -74.46 -32.14 62.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.484 ' O ' ' N ' ' A' ' 33' ' ' ARG . 10.2 t60 -63.4 -51.86 64.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -39.31 -25.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 31' ' ' HIS . 71.7 mtp85 -49.53 -49.1 47.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.5 pt -50.03 -20.17 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.189 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -91.64 -25.69 19.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 35.2 p . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 -179.895 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.492 ' HD3' ' HB1' ' A' ' 21' ' ' ALA . 7.5 mptt . . . . . 0 C--O 1.232 0.159 0 CA-C-O 121.572 0.701 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.555 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.73 -32.08 19.39 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.719 2.279 . . . . 0.0 112.342 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.555 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 29.9 m-85 -93.41 105.38 17.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.1 p -127.7 130.77 70.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.113 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.3 t -63.77 116.72 6.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -83.61 21.19 1.26 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.416 ' HB3' ' CD2' ' A' ' 35' ' ' HIS . 4.6 t80 -106.59 -52.11 2.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.6 p -112.66 -41.41 3.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.851 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.56 47.17 0.38 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 26.3 tttm -106.89 142.66 36.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.779 0.324 . . . . 0.0 110.931 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.492 ' HB1' ' HD3' ' A' ' 11' ' ' LYS . . . -100.0 149.45 23.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.146 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.557 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 34.2 m-85 -149.87 124.57 9.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.445 ' N ' ' HG2' ' A' ' 11' ' ' LYS . . . -82.52 27.48 3.7 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.477 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 28.5 tp -164.05 135.54 4.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.835 0.35 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.52 ' OG ' ' CE1' ' A' ' 13' ' ' TYR . 1.8 m -52.0 -52.06 53.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.91 -51.85 54.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.054 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -46.34 -37.9 8.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.6 tp -77.22 -47.79 19.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.2 t -53.76 -43.1 54.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.116 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.463 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 28.4 mtt-85 -71.06 -37.98 72.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 33' ' ' ARG . 54.6 t60 -64.63 -61.08 2.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.827 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -38.92 -25.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 31' ' ' HIS . 10.3 mmm180 -49.88 -48.22 51.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.0 pt -54.99 -18.65 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.416 ' CD2' ' HB3' ' A' ' 17' ' ' TYR . 44.5 m-70 -96.66 -27.2 14.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 67.1 p . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.124 -179.898 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.475 ' HE2' ' CA ' ' A' ' 23' ' ' GLY . 3.9 mmmm . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.586 0.708 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.519 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.1 Cg_endo -69.79 -37.96 8.4 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.656 2.237 . . . . 0.0 112.35 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.519 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 47.1 m-85 -91.24 132.37 36.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.91 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.54 HG13 ' O ' ' A' ' 20' ' ' LYS . 94.3 t -146.84 123.79 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.413 ' SG ' ' N ' ' A' ' 16' ' ' ASP . 7.6 t -67.22 157.29 34.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.413 ' N ' ' SG ' ' A' ' 15' ' ' CYS . 1.9 p30 -105.45 -34.15 7.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.517 ' CE2' ' HB3' ' A' ' 35' ' ' HIS . 2.5 t80 -53.03 -58.37 7.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.3 p -103.16 -47.86 4.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.852 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.12 39.13 1.07 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.537 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.54 ' O ' HG13 ' A' ' 14' ' ' VAL . 33.1 mttp -87.65 167.81 13.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.842 0.353 . . . . 0.0 110.878 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.42 127.82 50.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.067 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.428 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 70.6 m-85 -127.94 147.64 50.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.475 ' CA ' ' HE2' ' A' ' 11' ' ' LYS . . . -89.37 -28.45 19.8 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.46 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.506 HD22 ' HB3' ' A' ' 26' ' ' ALA . 2.3 tt -115.88 136.82 52.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.825 0.345 . . . . 0.0 110.877 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.504 ' N ' HD23 ' A' ' 24' ' ' LEU . 79.7 p -50.97 -59.29 4.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.506 ' HB3' HD22 ' A' ' 24' ' ' LEU . . . -39.18 -52.38 1.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.062 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -49.84 -49.74 47.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.7 tp -58.52 -48.39 81.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 66.2 t -58.7 -49.75 81.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.155 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -67.12 -13.4 61.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.523 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 9.9 t60 -84.56 -59.14 2.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -41.25 -24.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.936 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 31' ' ' HIS . 27.2 mtt180 -49.0 -41.92 36.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.814 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.41 HG13 ' N ' ' A' ' 35' ' ' HIS . 25.1 pt -54.77 -27.24 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.115 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.517 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 33.1 m-70 -83.12 -24.03 32.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.5 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.161 -179.908 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.442 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 49.1 mmtt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 121.58 0.705 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -50.29 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.642 2.228 . . . . 0.0 112.379 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -71.0 95.81 1.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.964 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 93.4 t -113.18 109.16 27.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.14 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.5 t -44.22 126.29 5.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -89.07 15.65 8.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.408 ' HB3' ' NE2' ' A' ' 35' ' ' HIS . 3.1 t80 -103.54 -57.31 2.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.951 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.6 p -110.93 -39.13 4.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.853 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.53 5.02 7.3 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.464 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.533 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 21.4 tttt -66.38 123.55 20.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.78 0.324 . . . . 0.0 110.871 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.442 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -85.05 161.66 19.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.42 ' CG ' ' O ' ' A' ' 21' ' ' ALA . 78.1 m-85 -157.49 138.59 13.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -82.63 -28.59 38.46 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.463 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -114.68 141.66 47.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.829 0.347 . . . . 0.0 110.932 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 37.8 p -55.41 -57.38 12.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.68 -43.9 6.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.087 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -56.48 -42.29 78.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.8 tp -69.27 -43.77 73.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 76.4 t -60.98 -47.19 94.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.085 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 -67.24 -22.49 65.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.533 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 16.2 t60 -76.43 -49.52 16.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.843 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -49.46 -19.18 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.958 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 46.6 mtt180 -50.81 -29.59 12.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.442 HG13 ' N ' ' A' ' 35' ' ' HIS . 19.1 pt -72.82 -27.48 25.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.514 ' O ' HG23 ' A' ' 36' ' ' THR . 65.4 m-70 -84.97 22.66 1.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.821 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.514 HG23 ' O ' ' A' ' 35' ' ' HIS . 22.4 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.166 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.548 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 21.5 mtmt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 121.585 0.707 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.537 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.78 -47.88 0.83 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.7 2.266 . . . . 0.0 112.333 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.537 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 34.3 m-85 -78.85 107.83 11.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.4 p -130.62 140.61 48.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.123 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.6 t -84.75 151.84 24.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -99.76 -33.38 10.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.404 ' HB3' ' NE2' ' A' ' 35' ' ' HIS . 0.6 OUTLIER -50.34 -60.56 2.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.954 -179.878 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -106.35 -47.1 3.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.14 30.1 1.66 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.495 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.537 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 12.5 tttp -85.75 127.64 34.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.548 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -91.33 156.61 17.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.065 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.44 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 86.4 m-85 -153.02 133.47 13.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.833 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.92 -29.93 66.42 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.48 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 71.9 mt -106.83 150.3 26.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.793 0.33 . . . . 0.0 110.942 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.42 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 48.2 t -66.14 -58.79 4.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.8 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.82 -48.99 15.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -44.71 -47.09 10.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.8 tp -62.43 -51.49 67.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.599 HG12 HH21 ' A' ' 30' ' ' ARG . 60.4 t -49.58 -45.87 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.599 HH21 HG12 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -69.44 -27.61 65.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.537 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 10.6 t60 -70.92 -54.74 10.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -42.87 -23.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 31' ' ' HIS . 68.5 mtp85 -52.15 -40.59 61.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.9 pt -55.94 -16.9 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.404 ' NE2' ' HB3' ' A' ' 17' ' ' TYR . 41.6 m-70 -93.64 -25.68 17.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.4 p . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.188 -179.962 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.0 mttt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 121.587 0.708 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.503 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.77 -22.36 32.13 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.712 2.275 . . . . 0.0 112.31 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.503 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 83.8 m-85 -103.05 93.36 4.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.953 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 69.9 t -121.29 117.44 52.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.6 t -46.75 116.14 1.25 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -88.76 29.17 1.04 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.832 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.561 ' CE2' ' HB3' ' A' ' 35' ' ' HIS . 5.9 t80 -120.66 -48.27 2.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.934 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.0 p -119.99 -39.16 2.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.864 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.22 93.55 2.06 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.497 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.5 tttt -159.36 130.5 6.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.746 0.307 . . . . 0.0 110.974 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.67 145.8 26.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.103 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -134.99 -47.63 0.73 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.23 -10.16 74.16 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.5 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.4 tp -135.83 137.78 41.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.817 0.341 . . . . 0.0 110.906 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.565 ' O ' HG23 ' A' ' 29' ' ' VAL . 81.7 p -59.59 -49.64 76.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.05 -49.6 60.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -60.07 -53.13 61.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.7 tp -54.69 -43.8 72.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.977 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 25' ' ' SER . 79.1 t -58.95 -51.34 73.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.113 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 48.9 mtp85 -60.11 -15.21 21.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.909 ' O ' HG23 ' A' ' 34' ' ' ILE . 39.6 t60 -93.16 -54.49 3.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -52.77 -35.78 57.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.0 ptt180 -46.42 -21.01 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.909 HG23 ' O ' ' A' ' 31' ' ' HIS . 7.6 pt -71.0 -38.37 71.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.561 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 84.4 m-70 -79.43 11.54 2.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.0 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.144 -179.901 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.2 mmtt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 121.606 0.717 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.498 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.5 Cg_endo -69.84 -35.87 11.64 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.694 2.263 . . . . 0.0 112.358 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.498 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 39.5 m-85 -95.06 97.16 9.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 20' ' ' LYS . 1.4 p -113.03 135.29 52.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.149 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.415 ' HA ' HD11 ' A' ' 28' ' ' LEU . 39.8 t -67.33 124.85 24.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.61 29.26 1.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.541 ' CE2' ' HB3' ' A' ' 35' ' ' HIS . 2.0 t80 -117.59 -44.12 2.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.8 p -115.74 -46.55 2.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.98 36.59 0.7 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.493 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.45 ' O ' HG23 ' A' ' 14' ' ' VAL . 7.3 mtpm? -104.0 147.64 27.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.826 0.346 . . . . 0.0 110.873 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.77 148.28 25.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.086 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -138.55 127.28 23.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.96 -21.0 75.14 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.519 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 43.6 mt -123.64 146.6 48.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.813 0.339 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 63.3 p -61.49 -56.28 21.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.08 -42.48 60.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.098 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.406 ' OE1' ' N ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -54.17 -33.27 57.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.415 HD11 ' HA ' ' A' ' 15' ' ' CYS . 16.0 tp -76.93 -54.94 5.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.925 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.0 t -52.1 -43.22 37.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -67.17 -22.84 65.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.411 ' C ' ' N ' ' A' ' 33' ' ' ARG . 10.5 t60 -81.88 -48.7 11.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -45.54 -21.08 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.411 ' N ' ' C ' ' A' ' 31' ' ' HIS . 23.7 mtp85 -51.41 -41.44 60.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.8 pt -63.45 -18.72 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.541 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 42.4 m-70 -90.83 -15.42 30.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 71.5 p . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 -179.919 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.502 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 17.2 mmtp . . . . . 0 C--O 1.232 0.137 0 CA-C-O 121.569 0.7 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.567 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.78 -50.72 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.644 2.229 . . . . 0.0 112.381 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.567 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 28.4 m-85 -74.8 102.74 4.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 43.9 t -119.0 108.61 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.108 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.4 t -54.89 112.85 1.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -73.58 -15.49 61.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.493 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 3.1 t80 -65.2 -60.55 2.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.6 p -104.97 -34.17 8.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.13 37.62 2.29 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.491 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.463 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 27.1 mttm -95.0 172.23 8.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.799 0.333 . . . . 0.0 110.925 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.502 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -123.31 154.87 38.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.491 ' CG ' ' O ' ' A' ' 21' ' ' ALA . 59.6 m-85 -159.88 126.13 4.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.19 -37.81 81.85 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.467 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.596 HD12 ' HB3' ' A' ' 26' ' ' ALA . 0.5 OUTLIER -98.48 130.59 45.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.846 0.355 . . . . 0.0 110.906 -179.92 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.499 ' HB2' ' CZ ' ' A' ' 13' ' ' TYR . 14.5 t -49.75 -58.28 5.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.596 ' HB3' HD12 ' A' ' 24' ' ' LEU . . . -39.22 -57.28 1.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.117 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -39.29 -47.97 1.77 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.505 HD22 ' HB3' ' A' ' 13' ' ' TYR . 29.9 tp -63.98 -50.01 70.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.92 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.8 t -55.56 -40.79 60.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -80.33 -28.11 38.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.465 ' O ' ' N ' ' A' ' 33' ' ' ARG . 10.6 t60 -69.61 -57.21 5.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -40.36 -25.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 31' ' ' HIS . 30.3 mtp180 -50.43 -43.98 55.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.4 HG13 ' N ' ' A' ' 35' ' ' HIS . 8.0 pt -50.15 -21.55 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.167 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.493 ' HB3' ' CZ ' ' A' ' 17' ' ' TYR . 48.8 m-70 -86.05 -28.83 23.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.822 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 36.5 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.097 -179.866 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.614 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 42.6 mmtt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 121.537 0.684 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.489 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.76 -37.01 9.74 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.646 2.231 . . . . 0.0 112.346 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.581 ' HB3' HD22 ' A' ' 28' ' ' LEU . 67.2 m-85 -89.67 118.33 29.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 97.5 t -122.48 126.2 73.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.156 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.484 ' HA ' HD11 ' A' ' 28' ' ' LEU . 52.2 t -63.36 114.13 3.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -81.3 42.38 0.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.559 ' CD1' ' CE1' ' A' ' 35' ' ' HIS . 4.2 t80 -134.56 -52.93 0.82 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.946 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.8 p -112.2 -43.9 3.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.32 52.69 0.28 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt -108.88 172.31 6.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.329 . . . . 0.0 110.917 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.614 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -125.36 148.22 48.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.446 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 48.1 m-85 -149.6 132.81 16.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.0 -36.58 46.18 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.463 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' A' ' 24' ' ' LEU . 4.4 mm? -102.34 142.54 33.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.797 0.332 . . . . 0.0 110.916 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.2 p -59.18 -44.39 92.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.02 -42.73 85.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.112 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -52.95 -44.48 67.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.581 HD22 ' HB3' ' A' ' 13' ' ' TYR . 44.3 tp -67.31 -43.83 80.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.1 t -60.55 -47.58 92.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.167 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.482 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 12.1 ptp180 -65.18 -39.08 92.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.482 ' O ' ' N ' ' A' ' 33' ' ' ARG . 12.3 t60 -61.0 -57.45 12.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.832 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 31' ' ' HIS . 44.1 mt-30 -36.31 -30.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.942 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.482 ' CG ' ' O ' ' A' ' 30' ' ' ARG . 2.2 mmp_? -46.69 -47.92 20.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.479 HG13 ' N ' ' A' ' 35' ' ' HIS . 29.8 pt -43.11 -33.66 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.559 ' CE1' ' CD1' ' A' ' 17' ' ' TYR . 92.4 m-70 -82.16 -28.93 31.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.477 ' N ' ' O ' ' A' ' 33' ' ' ARG . 2.7 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.18 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.478 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.568 0.699 . . . . 0.0 110.917 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.438 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.73 -39.18 6.88 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.658 2.238 . . . . 0.0 112.353 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.438 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 77.3 m-85 -87.82 95.46 10.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.8 p -122.43 123.92 69.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.147 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 30.0 t -59.18 115.38 3.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -80.82 2.34 26.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.839 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -87.85 -52.2 5.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.3 p -109.01 -48.76 3.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.89 42.27 0.34 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.483 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.552 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 72.3 mttt -103.36 141.14 36.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.764 0.316 . . . . 0.0 110.919 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.44 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -96.6 151.93 19.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.074 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.484 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 72.0 m-85 -153.95 130.1 10.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.478 ' N ' ' HG2' ' A' ' 11' ' ' LYS . . . -88.62 32.11 4.64 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.51 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.8 tp -167.77 138.01 2.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.841 0.353 . . . . 0.0 110.92 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 93.7 p -56.35 -54.41 45.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.17 -45.25 61.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.066 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -52.79 -44.95 66.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.3 tp -69.19 -59.51 2.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.8 t -47.58 -47.43 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.168 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 -61.15 -32.21 71.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.552 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 22.3 t60 -72.19 -52.01 18.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -41.31 -24.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 31' ' ' HIS . 38.6 mtt85 -49.45 -42.64 43.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.424 HD11 ' CE1' ' A' ' 31' ' ' HIS . 20.7 pt -60.56 -28.21 42.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -83.88 -10.93 57.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 71.4 p . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 -179.931 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.779 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.561 0.695 . . . . 0.0 110.942 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.515 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.8 Cg_endo -69.76 -50.73 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.632 2.221 . . . . 0.0 112.377 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.515 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 35.4 m-85 -73.91 114.1 11.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.8 t -125.94 109.0 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.095 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.7 t -46.74 133.62 10.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -96.44 32.1 2.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.572 ' CE2' ' HB3' ' A' ' 35' ' ' HIS . 3.2 t80 -124.41 -58.1 1.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -106.07 -48.5 3.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.51 24.65 1.38 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.469 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.596 ' HD2' ' CZ ' ' A' ' 22' ' ' PHE . 0.4 OUTLIER -86.34 129.7 34.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.776 0.322 . . . . 0.0 110.9 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.779 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -91.13 154.43 19.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.596 ' CZ ' ' HD2' ' A' ' 20' ' ' LYS . 91.2 m-85 -145.31 140.44 27.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.842 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -78.27 -21.98 68.97 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.505 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -116.41 162.72 17.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.811 0.339 . . . . 0.0 110.911 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.485 ' HB3' ' CZ ' ' A' ' 13' ' ' TYR . 89.7 p -81.4 -36.19 29.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.403 ' HB1' HH11 ' A' ' 30' ' ' ARG . . . -66.84 -41.17 87.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.065 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -53.99 -46.61 71.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.4 tp -57.9 -53.95 52.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.0 t -50.09 -46.41 24.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.087 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.496 ' O ' ' CZ ' ' A' ' 33' ' ' ARG . 0.9 OUTLIER -69.98 -22.74 63.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.816 -179.895 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.498 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 5.2 t60 -77.75 -52.7 8.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -44.76 -22.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.496 ' CZ ' ' O ' ' A' ' 30' ' ' ARG . 17.8 mtm105 -54.4 -42.86 70.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 19.0 pt -49.43 -27.02 2.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.14 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.572 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 39.6 m-70 -84.68 -27.35 27.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.816 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.18 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.459 ' HD2' ' CA ' ' A' ' 23' ' ' GLY . 25.3 mmtp . . . . . 0 C--O 1.231 0.09 0 CA-C-O 121.6 0.714 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.46 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.81 -46.15 1.31 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.673 2.249 . . . . 0.0 112.357 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.46 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 59.4 m-85 -80.96 149.21 29.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.68 HG13 ' O ' ' A' ' 20' ' ' LYS . 97.8 t -155.35 129.06 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.131 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.5 t -77.52 78.46 4.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -39.09 -32.02 0.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -47.2 -64.52 0.76 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.937 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.0 p -99.69 -44.91 5.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.04 35.29 0.78 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.68 ' O ' HG13 ' A' ' 14' ' ' VAL . 28.4 tttm -94.87 167.74 11.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.794 0.331 . . . . 0.0 110.942 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.447 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -118.66 152.75 35.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.075 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.558 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 7.9 m-85 -153.86 137.8 16.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.889 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.459 ' CA ' ' HD2' ' A' ' 11' ' ' LYS . . . -77.52 -33.8 42.06 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.562 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.5 mp -107.89 171.57 7.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.823 0.345 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 39.1 p -82.18 -51.96 7.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.97 -43.09 69.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -54.41 -40.2 68.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.3 tp -69.03 -49.39 58.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.6 t -59.28 -41.61 84.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.79 -25.89 65.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.76 ' O ' HD12 ' A' ' 34' ' ' ILE . 7.4 t60 -73.56 -49.27 27.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -52.27 -15.8 0.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -52.7 -37.15 58.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.76 HD12 ' O ' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -65.49 -18.4 23.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.094 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.566 ' N ' HD13 ' A' ' 34' ' ' ILE . 26.9 m-70 -83.92 -21.91 31.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 75.5 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.141 -179.903 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.634 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 47.2 mmtt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 121.554 0.693 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.467 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.8 Cg_endo -69.73 -49.85 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.665 2.244 . . . . 0.0 112.356 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.554 ' HB3' HD22 ' A' ' 28' ' ' LEU . 37.4 m-85 -75.86 112.35 12.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 93.1 t -127.07 130.67 71.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.085 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.436 ' SG ' ' N ' ' A' ' 16' ' ' ASP . 1.6 t -71.51 157.39 38.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.436 ' N ' ' SG ' ' A' ' 15' ' ' CYS . 44.4 m-20 -101.52 -36.24 8.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.416 ' HB3' ' NE2' ' A' ' 35' ' ' HIS . 6.4 t80 -52.11 -66.79 0.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.4 p -98.73 -46.93 5.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.43 22.11 3.83 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.478 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.595 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -70.29 151.78 44.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.768 0.318 . . . . 0.0 110.927 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.634 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -110.75 146.36 36.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.094 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.595 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 95.5 m-85 -143.83 141.94 30.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -92.59 25.55 18.12 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.536 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 46.9 tp -165.08 123.55 1.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.792 0.329 . . . . 0.0 110.925 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.468 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 43.6 t -43.72 -52.9 6.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.94 -50.55 14.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -55.9 -45.52 78.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.554 HD22 ' HB3' ' A' ' 13' ' ' TYR . 34.2 tp -62.23 -55.94 23.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.933 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 64.5 t -55.79 -37.75 48.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -78.89 -20.64 48.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.453 ' CG ' ' CE2' ' A' ' 22' ' ' PHE . 11.9 t60 -74.57 -46.29 39.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -48.64 -19.39 0.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 34.2 mtp85 -57.55 -41.44 81.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.8 pt -56.11 -20.09 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.416 ' NE2' ' HB3' ' A' ' 17' ' ' TYR . 49.5 m-70 -88.8 -24.47 22.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.811 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 80.7 p . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.159 -179.911 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.5 mmtm . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.573 0.701 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.477 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.77 -22.42 32.05 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.688 2.258 . . . . 0.0 112.347 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.477 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 69.9 m-85 -98.69 87.22 3.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.6 t -110.39 115.65 50.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.128 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.9 t -44.74 153.63 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -107.56 -28.48 9.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.83 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.551 ' HB3' ' CD2' ' A' ' 35' ' ' HIS . 2.2 t80 -60.79 -51.54 68.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.9 p -117.57 -42.95 2.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.61 85.69 1.78 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.51 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.6 ttpp -142.17 131.81 24.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.778 0.323 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.93 143.61 32.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.095 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -132.99 -73.55 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 125.12 -30.01 4.68 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.446 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 25' ' ' SER . 3.8 mm? -119.65 111.15 17.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.787 0.327 . . . . 0.0 110.958 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.562 ' O ' HG23 ' A' ' 29' ' ' VAL . 31.2 t -34.55 -52.11 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.37 -60.3 2.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.105 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -49.61 -48.8 48.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.0 tp -55.89 -46.23 78.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 25' ' ' SER . 92.9 t -54.5 -54.69 20.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.086 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 86.3 mtt-85 -55.14 -19.71 8.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.427 ' O ' HG23 ' A' ' 34' ' ' ILE . 28.5 t60 -88.69 -56.31 3.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -46.04 -22.95 0.25 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -75.04 -36.37 61.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.434 HD11 ' CE1' ' A' ' 35' ' ' HIS . 1.5 pp -50.14 -28.1 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.551 ' CD2' ' HB3' ' A' ' 17' ' ' TYR . 76.7 m-70 -72.25 -29.12 63.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.535 HG23 ' O ' ' A' ' 36' ' ' THR . 6.6 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.153 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 121.6 0.714 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.505 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.76 -37.33 9.33 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.68 2.253 . . . . 0.0 112.32 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.505 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 29.2 m-85 -93.56 97.11 10.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 20' ' ' LYS . 4.8 p -126.14 120.71 57.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.167 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.495 ' SG ' ' NE2' ' A' ' 32' ' ' GLN . 47.0 t -60.12 134.8 57.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -89.95 -32.96 16.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.877 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.408 ' HB3' ' NE2' ' A' ' 35' ' ' HIS . 0.8 OUTLIER -49.65 -56.82 8.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.825 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.5 p -102.12 -47.63 4.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.37 38.7 0.91 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.646 ' O ' HG23 ' A' ' 14' ' ' VAL . 16.8 mtpt -97.15 147.0 24.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.78 0.324 . . . . 0.0 110.935 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.07 141.84 30.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.12 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.535 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 30.3 m-85 -144.42 136.34 26.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -85.41 -27.69 32.25 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.482 ' CB ' ' OE2' ' A' ' 27' ' ' GLU . 39.0 mt -107.23 128.96 54.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.841 0.353 . . . . 0.0 110.919 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.481 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 30.5 t -50.48 -52.28 39.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.459 ' HB1' HH21 ' A' ' 30' ' ' ARG . . . -53.37 -43.39 67.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.102 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.482 ' OE2' ' CB ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -56.41 -35.78 68.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.459 HD11 HE21 ' A' ' 32' ' ' GLN . 19.2 tp -73.84 -47.44 38.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.947 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 71.5 t -59.51 -51.35 73.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.161 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 30' ' ' ARG . 4.5 ptp180 -59.17 -28.77 66.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.759 ' O ' HD12 ' A' ' 34' ' ' ILE . 7.0 t60 -72.09 -48.7 42.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.495 ' NE2' ' SG ' ' A' ' 15' ' ' CYS . 31.0 mm-40 -49.49 -17.55 0.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 47.0 mtt180 -53.22 -36.37 60.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.759 HD12 ' O ' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -65.73 -17.31 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.564 ' N ' HD13 ' A' ' 34' ' ' ILE . 29.0 m-70 -89.77 -3.4 58.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.828 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 73.5 p . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.098 -179.926 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.401 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 23.8 mmtm . . . . . 0 C--O 1.232 0.151 0 CA-C-O 121.544 0.688 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -36.29 11.05 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.71 2.273 . . . . 0.0 112.332 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -90.14 106.47 18.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.5 t -117.48 123.92 72.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.147 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 52.1 t -74.25 82.11 1.84 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -42.4 -25.79 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.422 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 2.1 t80 -51.86 -65.44 0.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.9 p -104.19 -41.71 5.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.0 36.13 0.78 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.505 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.506 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 7.0 tptp -94.19 156.31 16.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.8 0.333 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.401 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -113.87 147.36 38.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.096 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.506 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 27.3 m-85 -151.28 131.54 13.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.85 -39.36 55.08 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -101.6 139.79 36.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.819 0.342 . . . . 0.0 110.927 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 34.4 p -56.42 -55.11 37.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.22 -45.88 8.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -52.7 -43.43 65.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.2 tp -63.15 -39.45 94.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.7 t -61.97 -56.17 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.43 ' NH1' ' HB2' ' A' ' 30' ' ' ARG . 26.1 mtm105 -61.15 -11.58 9.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.778 ' O ' HG23 ' A' ' 34' ' ' ILE . 20.8 t60 -92.54 -61.94 1.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -43.65 -35.95 1.97 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.4 ptt85 -45.65 -40.03 8.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.778 HG23 ' O ' ' A' ' 31' ' ' HIS . 12.9 pt -47.95 -35.73 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.422 ' HB3' ' CZ ' ' A' ' 17' ' ' TYR . 59.7 m-70 -78.98 -23.53 44.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.154 -179.892 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -81.51 155.48 25.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.902 0.382 . . . . 0.0 110.855 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.9 p -169.48 157.99 7.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.4 100.41 1.79 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.506 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.3 m -130.73 42.21 3.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.853 0.359 . . . . 0.0 110.816 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.8 p -71.7 122.12 20.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.817 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.47 -44.35 0.2 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.5 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.7 m -73.86 121.02 20.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.9 0.381 . . . . 0.0 110.883 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -94.64 172.72 31.64 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.464 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -60.81 120.76 10.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.873 0.368 . . . . 0.0 110.875 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.408 ' HD2' ' CA ' ' A' ' 23' ' ' GLY . 34.0 mmtt -107.36 152.51 41.28 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.554 0.692 . . . . 0.0 110.932 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.458 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.8 Cg_endo -69.77 -22.49 31.98 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.71 2.273 . . . . 0.0 112.328 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.458 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 72.9 m-85 -106.09 82.53 1.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.767 HG23 ' O ' ' A' ' 20' ' ' LYS . 5.8 p -110.79 133.55 55.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.097 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.0 t -71.07 153.16 42.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -101.76 -39.36 7.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.421 ' HB3' ' NE2' ' A' ' 35' ' ' HIS . 1.2 t80 -43.67 -60.86 1.6 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.944 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.9 p -101.67 -44.86 5.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.71 37.57 1.27 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.463 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.767 ' O ' HG23 ' A' ' 14' ' ' VAL . 31.9 tttt -90.49 150.73 21.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.759 0.314 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.76 136.9 44.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.112 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.54 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 18.7 m-85 -137.84 131.11 30.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.408 ' CA ' ' HD2' ' A' ' 11' ' ' LYS . . . -71.42 -40.55 59.99 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.481 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.7 HD23 ' HB3' ' A' ' 26' ' ' ALA . 6.8 tp -110.16 140.6 44.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.803 0.335 . . . . 0.0 110.927 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 88.3 p -52.31 -46.59 66.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.7 ' HB3' HD23 ' A' ' 24' ' ' LEU . . . -47.87 -44.62 29.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.1 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -63.5 -35.77 81.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.1 tp -70.49 -45.93 64.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.5 t -60.16 -58.52 6.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.099 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -51.97 -32.47 33.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.469 ' O ' ' N ' ' A' ' 33' ' ' ARG . 12.2 t60 -68.75 -54.05 18.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -40.01 -25.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 31' ' ' HIS . 84.3 mtt180 -47.29 -47.79 25.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.484 HG13 ' N ' ' A' ' 35' ' ' HIS . 20.9 pt -50.04 -29.77 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.484 ' N ' HG13 ' A' ' 34' ' ' ILE . 58.5 m-70 -81.77 -28.64 33.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.6 p -112.2 96.31 5.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.146 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -111.33 107.34 2.15 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -147.58 143.18 27.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.884 0.373 . . . . 0.0 110.903 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.444 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 35.7 mtpt 50.68 54.22 15.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.58 0.705 . . . . 0.0 110.933 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.444 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.7 Cg_endo -69.77 95.98 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.675 2.25 . . . . 0.0 112.372 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.7 p -85.48 87.63 7.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.849 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 120.61 146.29 7.54 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 89.07 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.689 2.259 . . . . 0.0 112.339 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.5 m -153.51 105.53 2.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 97.3 p -173.54 119.03 0.29 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.843 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.094 -0.837 . . . . 0.0 112.547 179.979 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.1 p -122.04 107.76 12.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.857 0.361 . . . . 0.0 110.859 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.4 p -107.72 94.81 5.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.854 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.27 164.16 16.42 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.463 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.7 p -56.58 120.96 8.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.882 0.372 . . . . 0.0 110.855 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.8 m -46.57 -45.0 18.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.893 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 48.84 -153.83 2.17 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.48 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.9 t -55.05 99.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.852 0.358 . . . . 0.0 110.85 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.45 63.16 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.493 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -111.63 144.22 41.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.905 0.383 . . . . 0.0 110.934 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.424 ' HD3' ' C ' ' A' ' 22' ' ' PHE . 54.9 mttm -142.37 143.92 28.95 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.559 0.695 . . . . 0.0 110.882 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.57 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.4 Cg_endo -69.77 -37.85 8.58 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.709 2.272 . . . . 0.0 112.36 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.57 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 11.0 m-85 -92.15 104.38 16.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.8 p -135.99 122.16 30.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.102 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.406 ' HB2' ' CD1' ' A' ' 28' ' ' LEU . 12.9 t -68.32 134.66 50.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -88.89 -30.09 19.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.539 ' CE2' ' HB3' ' A' ' 35' ' ' HIS . 2.0 t80 -48.74 -51.6 28.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -112.79 -47.03 3.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.846 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.23 42.76 0.58 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.444 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.531 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 51.4 mttt -100.11 137.55 38.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.773 0.32 . . . . 0.0 110.909 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.42 ' HB1' ' HD2' ' A' ' 11' ' ' LYS . . . -92.96 151.19 20.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.094 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.465 ' N ' ' O ' ' A' ' 13' ' ' TYR . 78.8 m-85 -150.18 128.87 12.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.881 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.422 ' C ' HD12 ' A' ' 24' ' ' LEU . . . -80.99 9.49 53.03 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.422 HD12 ' C ' ' A' ' 23' ' ' GLY . 4.3 mp -142.46 158.29 43.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.869 0.366 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.466 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 20.6 t -78.26 -50.33 12.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.03 -39.38 71.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.141 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -55.9 -52.24 64.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.406 ' CD1' ' HB2' ' A' ' 15' ' ' CYS . 41.9 tp -60.51 -51.39 69.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.5 t -50.91 -59.43 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.179 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.1 mtp180 -51.22 -38.84 54.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.531 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 12.2 t60 -66.38 -51.43 57.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -38.92 -26.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 31' ' ' HIS . 25.7 mtt85 -49.25 -45.5 44.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.477 HG13 ' N ' ' A' ' 35' ' ' HIS . 15.8 pt -51.43 -28.32 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.539 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 80.1 m-70 -92.63 24.0 3.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.6 p -153.15 119.62 5.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.78 -112.76 3.18 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.455 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -115.5 136.26 53.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.943 0.402 . . . . 0.0 110.865 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -124.69 80.94 61.4 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.551 0.691 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -20.62 34.73 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.698 2.265 . . . . 0.0 112.327 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.6 p -48.69 156.04 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -113.53 -95.05 2.13 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.517 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.7 Cg_endo -69.75 -26.15 27.93 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.712 2.275 . . . . 0.0 112.333 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 43' ' ' PRO . 29.3 t -36.67 -44.2 0.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 89.3 p -38.86 -50.84 1.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.488 179.985 . . . . . . . . 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 -0.33 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.7 t -66.4 144.01 56.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.918 0.389 . . . . 0.0 110.842 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.9 m -137.54 159.74 41.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.85 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.64 -131.71 7.43 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.467 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.6 p -119.01 109.05 15.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.935 0.397 . . . . 0.0 110.89 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.8 t -168.84 148.84 4.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.63 158.44 9.76 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.523 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.1 t -65.56 -49.42 68.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.928 0.394 . . . . 0.0 110.863 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.26 -101.1 0.26 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.482 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -165.19 139.67 4.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.94 0.4 . . . . 0.0 110.875 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.4 mmpt? -88.75 149.54 44.05 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.618 0.723 . . . . 0.0 110.885 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.552 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.8 Cg_endo -69.8 -40.69 4.97 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.674 2.249 . . . . 0.0 112.352 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.552 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 40.7 m-85 -87.59 99.34 11.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.97 HG13 ' O ' ' A' ' 20' ' ' LYS . 98.1 t -114.12 114.57 47.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.103 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.1 t -46.75 133.13 10.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -98.16 8.35 44.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.413 ' HB3' ' CD2' ' A' ' 35' ' ' HIS . 4.2 t80 -98.13 -42.63 7.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.7 p -117.01 -46.74 2.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.42 47.22 0.47 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.474 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.97 ' O ' HG13 ' A' ' 14' ' ' VAL . 28.7 mttp -101.68 -175.05 2.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.772 0.32 . . . . 0.0 110.893 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.81 141.0 44.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -145.26 130.31 18.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.39 -21.38 79.64 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.43 HD13 ' HA ' ' A' ' 24' ' ' LEU . 3.5 mm? -117.63 142.03 47.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.82 0.343 . . . . 0.0 110.895 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.442 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 12.0 t -58.34 -58.41 8.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.75 -48.49 29.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.112 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -50.18 -36.09 28.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.826 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.467 HD22 ' HB3' ' A' ' 13' ' ' TYR . 21.8 tp -74.02 -46.05 45.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.7 t -58.37 -48.51 84.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.175 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -31.15 72.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.404 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 21.6 t60 -66.53 -41.85 88.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -60.54 -11.87 8.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -62.45 -28.13 69.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.834 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.8 pt -76.9 -20.46 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.413 ' CD2' ' HB3' ' A' ' 17' ' ' TYR . 19.8 m-70 -79.72 -23.04 42.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 45.3 p -115.52 40.56 2.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.13 160.71 0.85 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.478 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -126.8 82.0 2.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.87 0.367 . . . . 0.0 110.891 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -107.56 81.02 1.02 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.556 0.693 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 -19.09 36.44 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.671 2.247 . . . . 0.0 112.315 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.0 m -157.7 111.16 2.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -125.9 83.4 0.35 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.48 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.66 -11.38 30.84 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.674 2.249 . . . . 0.0 112.373 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 45' ' ' SER . 15.8 m -62.02 -54.02 47.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.834 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 44' ' ' SER . 12.9 p -34.72 -38.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.825 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.478 -179.975 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -121.97 42.87 3.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.864 0.364 . . . . 0.0 110.823 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t 48.64 41.6 17.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.853 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.25 81.73 1.42 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.5 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.9 m -73.18 137.04 44.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.874 0.368 . . . . 0.0 110.884 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.5 p -149.78 112.55 4.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.851 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.03 53.4 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.524 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.7 t -113.63 -50.4 2.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.904 0.383 . . . . 0.0 110.878 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.84 179.73 17.61 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.465 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -131.92 151.02 51.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.915 0.388 . . . . 0.0 110.889 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.475 ' HD2' ' CA ' ' A' ' 23' ' ' GLY . 25.2 mmtt -117.11 143.76 32.36 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.605 0.717 . . . . 0.0 110.925 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.531 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.73 -44.45 2.09 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.648 2.232 . . . . 0.0 112.349 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.531 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 46.1 m-85 -85.53 95.95 9.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.93 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 20' ' ' LYS . 6.4 p -126.23 120.13 55.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.137 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.1 t -58.42 131.96 52.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -89.89 -19.99 23.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -63.36 -52.36 62.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -105.32 -47.68 3.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.836 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.96 33.34 1.16 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.498 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.72 ' O ' HG23 ' A' ' 14' ' ' VAL . 37.5 mttt -93.82 147.89 22.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.811 0.338 . . . . 0.0 110.904 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.5 143.84 31.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.147 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.438 ' N ' ' O ' ' A' ' 13' ' ' TYR . 50.4 m-85 -143.58 133.75 24.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.873 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.475 ' CA ' ' HD2' ' A' ' 11' ' ' LYS . . . -76.14 -34.49 46.53 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.9 tp -106.77 142.69 36.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.82 0.343 . . . . 0.0 110.891 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 26' ' ' ALA . 1.4 t -61.53 -63.62 1.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -35.75 -42.3 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -57.16 -51.77 68.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 42.0 tp -61.82 -55.91 24.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.4 t -48.47 -47.36 14.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.087 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -70.62 -25.75 63.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -72.86 -50.31 24.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.826 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -49.34 -19.36 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -56.94 -30.91 64.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.832 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.0 pt -67.95 -18.78 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 52.1 m-70 -90.81 -21.84 21.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 20.6 p -117.69 32.41 6.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.168 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -108.27 172.26 16.79 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.467 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -115.73 46.23 1.56 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.927 0.394 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.5 mmtt -109.0 143.76 28.27 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.612 0.72 . . . . 0.0 110.905 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.66 -25.66 28.85 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.4 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.5 m -61.76 145.28 52.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.825 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 158.56 146.2 4.46 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.532 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 170.66 16.06 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.703 2.268 . . . . 0.0 112.356 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.1 m -158.79 109.85 2.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.832 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 35.4 p -104.42 -46.25 4.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.5 -179.963 . . . . . . . . 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 -0.323 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -160.17 169.47 23.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.852 0.358 . . . . 0.0 110.872 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -81.76 169.09 17.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.845 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.55 -139.83 7.58 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.47 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.2 p -107.92 125.64 51.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.929 0.395 . . . . 0.0 110.823 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.5 p -91.19 84.15 5.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.848 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.88 72.09 1.1 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.511 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.5 t -70.13 123.45 21.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.875 0.369 . . . . 0.0 110.865 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -171.78 130.82 2.02 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.466 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -94.9 72.71 3.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.903 0.382 . . . . 0.0 110.877 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -57.75 143.85 75.24 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.545 0.688 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.51 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.72 -38.49 7.81 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.644 2.229 . . . . 0.0 112.34 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.51 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 28.0 m-85 -93.49 97.11 10.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.953 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.6 p -125.0 129.19 73.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.122 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.9 t -66.82 139.31 57.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.07 -25.07 18.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -58.18 -55.77 30.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 p -106.05 -46.64 4.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.85 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.89 35.26 1.16 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.516 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.51 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 17.5 ttmt -93.26 131.96 37.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.763 0.316 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.74 139.73 30.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.103 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.51 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 57.8 m-85 -137.1 133.48 35.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -76.06 -24.4 69.15 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.486 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.611 HD23 ' N ' ' A' ' 25' ' ' SER . 3.0 tt -115.88 136.77 52.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.861 0.362 . . . . 0.0 110.914 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.611 ' N ' HD23 ' A' ' 24' ' ' LEU . 19.4 t -57.41 -56.05 26.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.597 ' HB3' HD22 ' A' ' 24' ' ' LEU . . . -43.31 -40.99 3.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.119 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -62.93 -39.36 94.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.7 tp -71.4 -45.07 63.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 99.8 t -62.72 -41.51 92.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.108 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -74.46 -32.14 62.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.484 ' O ' ' N ' ' A' ' 33' ' ' ARG . 10.2 t60 -63.4 -51.86 64.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -39.31 -25.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 31' ' ' HIS . 71.7 mtp85 -49.53 -49.1 47.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.5 pt -50.03 -20.17 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.189 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -91.64 -25.69 19.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 35.2 p -106.0 79.37 1.4 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 171.55 47.85 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.514 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 41.87 40.37 1.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.884 0.373 . . . . 0.0 110.891 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -120.75 75.91 27.59 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.534 0.683 . . . . 0.0 110.918 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 89.04 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.662 2.242 . . . . 0.0 112.381 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.0 t -155.61 111.68 3.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -133.4 -93.04 0.51 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.463 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 144.63 54.4 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.672 2.248 . . . . 0.0 112.315 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.1 m 56.28 42.74 27.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 43.9 t -85.51 -44.57 12.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.852 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.057 -0.857 . . . . 0.0 112.47 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 3' ' ' SER . 48.3 t -53.11 -56.07 19.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.915 0.388 . . . . 0.0 110.858 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 2' ' ' SER . 8.6 t -35.77 149.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.886 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.11 105.38 0.23 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.517 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -83.88 100.1 10.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.811 0.338 . . . . 0.0 110.866 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 t -161.19 175.24 12.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.53 52.05 0.11 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.5 m -99.97 42.4 1.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.912 0.387 . . . . 0.0 110.838 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 177.92 48.92 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.533 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -71.0 150.18 45.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.901 0.381 . . . . 0.0 110.888 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.492 ' HD3' ' HB1' ' A' ' 21' ' ' ALA . 7.5 mptt -108.86 145.44 31.68 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.572 0.701 . . . . 0.0 110.918 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.555 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.73 -32.08 19.39 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.719 2.279 . . . . 0.0 112.342 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.555 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 29.9 m-85 -93.41 105.38 17.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.1 p -127.7 130.77 70.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.113 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.3 t -63.77 116.72 6.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -83.61 21.19 1.26 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.416 ' HB3' ' CD2' ' A' ' 35' ' ' HIS . 4.6 t80 -106.59 -52.11 2.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.6 p -112.66 -41.41 3.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.851 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.56 47.17 0.38 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 26.3 tttm -106.89 142.66 36.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.779 0.324 . . . . 0.0 110.931 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.492 ' HB1' ' HD3' ' A' ' 11' ' ' LYS . . . -100.0 149.45 23.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.146 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.557 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 34.2 m-85 -149.87 124.57 9.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.445 ' N ' ' HG2' ' A' ' 11' ' ' LYS . . . -82.52 27.48 3.7 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.477 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 28.5 tp -164.05 135.54 4.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.835 0.35 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.52 ' OG ' ' CE1' ' A' ' 13' ' ' TYR . 1.8 m -52.0 -52.06 53.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.91 -51.85 54.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.054 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -46.34 -37.9 8.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.6 tp -77.22 -47.79 19.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.2 t -53.76 -43.1 54.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.116 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.463 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 28.4 mtt-85 -71.06 -37.98 72.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 33' ' ' ARG . 54.6 t60 -64.63 -61.08 2.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.827 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -38.92 -25.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 31' ' ' HIS . 10.3 mmm180 -49.88 -48.22 51.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.0 pt -54.99 -18.65 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.416 ' CD2' ' HB3' ' A' ' 17' ' ' TYR . 44.5 m-70 -96.66 -27.2 14.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 67.1 p -103.85 94.81 5.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.124 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 143.36 174.4 15.61 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -104.97 95.75 6.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.905 0.383 . . . . 0.0 110.888 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -131.9 143.91 51.04 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.551 0.691 . . . . 0.0 110.965 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 131.35 21.1 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.663 2.242 . . . . 0.0 112.356 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 95.8 p -132.09 109.66 10.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.8 -86.44 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.495 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 172.4 12.71 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.675 2.25 . . . . 0.0 112.362 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.3 m -79.5 80.46 5.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 47.1 m -105.23 -43.26 5.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 CA-C-O 119.12 -0.822 . . . . 0.0 112.487 -179.974 . . . . . . . . 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 -0.308 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.1 m -151.77 126.58 9.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.93 0.395 . . . . 0.0 110.858 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -133.03 140.72 47.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.847 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.74 43.19 0.19 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.528 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.5 m -102.8 43.62 1.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.904 0.383 . . . . 0.0 110.873 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.7 t -89.79 -60.01 2.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.32 48.46 14.42 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.5 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.8 t -76.05 -54.53 6.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.918 0.39 . . . . 0.0 110.88 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 142.87 144.16 4.26 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.478 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -69.98 138.65 52.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.933 0.397 . . . . 0.0 110.918 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.475 ' HE2' ' CA ' ' A' ' 23' ' ' GLY . 3.9 mmmm -76.55 146.85 77.74 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.586 0.708 . . . . 0.0 110.905 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.519 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.1 Cg_endo -69.79 -37.96 8.4 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.656 2.237 . . . . 0.0 112.35 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.519 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 47.1 m-85 -91.24 132.37 36.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.91 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.54 HG13 ' O ' ' A' ' 20' ' ' LYS . 94.3 t -146.84 123.79 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.413 ' SG ' ' N ' ' A' ' 16' ' ' ASP . 7.6 t -67.22 157.29 34.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.413 ' N ' ' SG ' ' A' ' 15' ' ' CYS . 1.9 p30 -105.45 -34.15 7.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.517 ' CE2' ' HB3' ' A' ' 35' ' ' HIS . 2.5 t80 -53.03 -58.37 7.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.3 p -103.16 -47.86 4.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.852 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.12 39.13 1.07 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.537 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.54 ' O ' HG13 ' A' ' 14' ' ' VAL . 33.1 mttp -87.65 167.81 13.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.842 0.353 . . . . 0.0 110.878 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.42 127.82 50.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.067 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.428 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 70.6 m-85 -127.94 147.64 50.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.475 ' CA ' ' HE2' ' A' ' 11' ' ' LYS . . . -89.37 -28.45 19.8 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.46 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.506 HD22 ' HB3' ' A' ' 26' ' ' ALA . 2.3 tt -115.88 136.82 52.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.825 0.345 . . . . 0.0 110.877 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.504 ' N ' HD23 ' A' ' 24' ' ' LEU . 79.7 p -50.97 -59.29 4.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.506 ' HB3' HD22 ' A' ' 24' ' ' LEU . . . -39.18 -52.38 1.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.062 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -49.84 -49.74 47.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.7 tp -58.52 -48.39 81.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 66.2 t -58.7 -49.75 81.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.155 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -67.12 -13.4 61.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.523 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 9.9 t60 -84.56 -59.14 2.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -41.25 -24.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.936 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 31' ' ' HIS . 27.2 mtt180 -49.0 -41.92 36.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.814 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.41 HG13 ' N ' ' A' ' 35' ' ' HIS . 25.1 pt -54.77 -27.24 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.115 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.517 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 33.1 m-70 -83.12 -24.03 32.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.5 p -99.53 118.35 35.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.161 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.5 75.14 0.34 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.513 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -153.07 135.25 14.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.917 0.389 . . . . 0.0 110.9 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.7 mmtt -55.12 153.21 12.87 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.58 0.705 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 83.8 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.674 2.249 . . . . 0.0 112.339 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.1 p -162.0 149.96 14.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 139.0 84.33 0.11 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.472 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -2.66 10.52 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.703 2.269 . . . . 0.0 112.335 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 t -87.33 -58.01 2.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.841 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 19.8 m -71.28 104.87 3.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.808 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 CA-C-O 119.154 -0.803 . . . . 0.0 112.502 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -60.2 -59.84 4.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.931 0.396 . . . . 0.0 110.892 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.4 m -79.05 126.21 30.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.43 145.02 18.53 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.502 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.2 m -133.76 163.93 28.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.905 0.383 . . . . 0.0 110.843 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -157.57 167.66 29.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.849 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.68 -160.59 9.18 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.489 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.7 p -107.98 46.21 0.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.944 0.402 . . . . 0.0 110.911 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -95.9 55.85 1.59 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.514 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -91.44 96.48 10.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.865 0.364 . . . . 0.0 110.886 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.442 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 49.1 mmtt -122.69 144.02 41.53 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.58 0.705 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -50.29 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.642 2.228 . . . . 0.0 112.379 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -71.0 95.81 1.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.964 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 93.4 t -113.18 109.16 27.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.14 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.5 t -44.22 126.29 5.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -89.07 15.65 8.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.408 ' HB3' ' NE2' ' A' ' 35' ' ' HIS . 3.1 t80 -103.54 -57.31 2.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.951 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.6 p -110.93 -39.13 4.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.853 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.53 5.02 7.3 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.464 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.533 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 21.4 tttt -66.38 123.55 20.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.78 0.324 . . . . 0.0 110.871 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.442 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -85.05 161.66 19.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.42 ' CG ' ' O ' ' A' ' 21' ' ' ALA . 78.1 m-85 -157.49 138.59 13.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -82.63 -28.59 38.46 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.463 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -114.68 141.66 47.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.829 0.347 . . . . 0.0 110.932 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 37.8 p -55.41 -57.38 12.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.68 -43.9 6.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.087 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -56.48 -42.29 78.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.8 tp -69.27 -43.77 73.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 76.4 t -60.98 -47.19 94.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.085 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 -67.24 -22.49 65.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.533 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 16.2 t60 -76.43 -49.52 16.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.843 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -49.46 -19.18 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.958 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 46.6 mtt180 -50.81 -29.59 12.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.442 HG13 ' N ' ' A' ' 35' ' ' HIS . 19.1 pt -72.82 -27.48 25.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.514 ' O ' HG23 ' A' ' 36' ' ' THR . 65.4 m-70 -84.97 22.66 1.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.821 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.514 HG23 ' O ' ' A' ' 35' ' ' HIS . 22.4 p -158.74 163.69 36.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.166 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.19 -95.89 1.44 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -48.02 -19.76 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.893 0.378 . . . . 0.0 110.857 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.95 81.33 69.26 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.575 0.703 . . . . 0.0 110.901 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -50.3 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.683 2.255 . . . . 0.0 112.356 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.8 t -174.7 163.71 3.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.851 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -179.59 -76.92 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.465 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -42.27 3.55 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.677 2.251 . . . . 0.0 112.34 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 t -91.22 152.38 20.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.5 t -52.13 156.05 1.73 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 CA-C-O 119.108 -0.829 . . . . 0.0 112.497 -179.995 . . . . . . . . 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 -0.304 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t 64.13 41.65 6.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.349 . . . . 0.0 110.851 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.1 t -107.22 106.51 17.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.83 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.11 163.69 28.06 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.1 m -164.29 143.91 7.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.351 . . . . 0.0 110.851 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 t -166.22 119.14 1.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.56 60.94 1.57 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.479 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.0 t -108.69 -42.2 4.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.938 0.399 . . . . 0.0 110.866 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.14 68.29 1.32 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.481 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -59.01 155.66 13.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.978 0.418 . . . . 0.0 110.834 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.548 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 21.5 mtmt -68.44 143.6 95.6 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.585 0.707 . . . . 0.0 110.88 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.537 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.78 -47.88 0.83 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.7 2.266 . . . . 0.0 112.333 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.537 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 34.3 m-85 -78.85 107.83 11.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.4 p -130.62 140.61 48.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.123 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.6 t -84.75 151.84 24.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -99.76 -33.38 10.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.404 ' HB3' ' NE2' ' A' ' 35' ' ' HIS . 0.6 OUTLIER -50.34 -60.56 2.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.954 -179.878 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -106.35 -47.1 3.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.14 30.1 1.66 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.495 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.537 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 12.5 tttp -85.75 127.64 34.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.548 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -91.33 156.61 17.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.065 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.44 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 86.4 m-85 -153.02 133.47 13.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.833 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.92 -29.93 66.42 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.48 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 71.9 mt -106.83 150.3 26.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.793 0.33 . . . . 0.0 110.942 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.42 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 48.2 t -66.14 -58.79 4.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.8 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.82 -48.99 15.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -44.71 -47.09 10.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.8 tp -62.43 -51.49 67.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.599 HG12 HH21 ' A' ' 30' ' ' ARG . 60.4 t -49.58 -45.87 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.599 HH21 HG12 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -69.44 -27.61 65.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.537 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 10.6 t60 -70.92 -54.74 10.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -42.87 -23.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 31' ' ' HIS . 68.5 mtp85 -52.15 -40.59 61.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.9 pt -55.94 -16.9 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.404 ' NE2' ' HB3' ' A' ' 17' ' ' TYR . 41.6 m-70 -93.64 -25.68 17.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.4 p -106.36 95.22 5.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.188 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.86 67.98 1.18 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.527 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -98.88 156.85 16.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.966 0.412 . . . . 0.0 110.906 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.4 pttp -88.98 147.67 39.31 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.601 0.715 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 80.19 0.91 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.685 2.257 . . . . 0.0 112.336 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 t -169.93 116.34 0.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.842 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.94 -156.04 13.53 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.488 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 -165.86 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.674 2.249 . . . . 0.0 112.296 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.7 m -99.75 44.49 1.02 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.5 m -106.97 75.12 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.872 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.141 -0.811 . . . . 0.0 112.488 -179.984 . . . . . . . . 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 -0.326 0 N-CA-C 112.429 -0.268 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 t -161.02 127.6 4.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.807 0.337 . . . . 0.0 110.898 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -150.7 172.24 15.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.8 -129.49 4.31 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.469 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.4 p -158.13 144.37 17.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.887 0.375 . . . . 0.0 110.877 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 t -80.76 83.63 6.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 8' ' ' SER . . . -51.02 144.68 12.2 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.465 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 7' ' ' GLY . 70.5 m -36.17 104.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.907 0.384 . . . . 0.0 110.877 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.51 102.63 2.54 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.504 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.41 95.0 3.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.908 0.385 . . . . 0.0 110.91 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.0 mttt -62.92 142.47 97.48 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.587 0.708 . . . . 0.0 110.876 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.503 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.77 -22.36 32.13 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.712 2.275 . . . . 0.0 112.31 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.503 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 83.8 m-85 -103.05 93.36 4.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.953 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 69.9 t -121.29 117.44 52.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.6 t -46.75 116.14 1.25 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -88.76 29.17 1.04 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.832 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.561 ' CE2' ' HB3' ' A' ' 35' ' ' HIS . 5.9 t80 -120.66 -48.27 2.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.934 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.0 p -119.99 -39.16 2.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.864 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.22 93.55 2.06 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.497 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.5 tttt -159.36 130.5 6.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.746 0.307 . . . . 0.0 110.974 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.67 145.8 26.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.103 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -134.99 -47.63 0.73 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.23 -10.16 74.16 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.5 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.4 tp -135.83 137.78 41.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.817 0.341 . . . . 0.0 110.906 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.565 ' O ' HG23 ' A' ' 29' ' ' VAL . 81.7 p -59.59 -49.64 76.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.05 -49.6 60.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -60.07 -53.13 61.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.7 tp -54.69 -43.8 72.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.977 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 25' ' ' SER . 79.1 t -58.95 -51.34 73.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.113 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 48.9 mtp85 -60.11 -15.21 21.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.909 ' O ' HG23 ' A' ' 34' ' ' ILE . 39.6 t60 -93.16 -54.49 3.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -52.77 -35.78 57.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.0 ptt180 -46.42 -21.01 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.909 HG23 ' O ' ' A' ' 31' ' ' HIS . 7.6 pt -71.0 -38.37 71.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.561 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 84.4 m-70 -79.43 11.54 2.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.0 p -146.3 146.01 30.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.144 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 175.47 41.01 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.511 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 49.93 42.58 24.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.923 0.392 . . . . 0.0 110.937 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.3 mmtt -118.37 153.7 51.85 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.528 0.68 . . . . 0.0 110.942 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 113.99 3.56 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.683 2.255 . . . . 0.0 112.341 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.1 t -67.24 -54.34 21.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.62 148.82 28.03 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.472 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.66 -19.5 36.51 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.68 2.254 . . . . 0.0 112.395 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.5 m -115.57 92.25 3.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.9 m -152.78 170.06 21.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 CA-C-O 119.139 -0.811 . . . . 0.0 112.522 -179.967 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.539 -0.224 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.0 m -117.77 104.71 11.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.371 . . . . 0.0 110.877 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 4' ' ' GLY . 42.5 m -111.22 98.92 7.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 36.93 -150.73 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.518 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.7 t -118.8 141.79 48.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.88 0.371 . . . . 0.0 110.873 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.7 p -82.74 83.24 7.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.53 111.39 2.48 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.477 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.5 m -80.46 160.89 25.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.914 0.388 . . . . 0.0 110.888 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -139.46 82.92 0.24 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.494 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -82.87 118.09 23.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.889 0.376 . . . . 0.0 110.919 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.2 mmtt -132.93 152.23 79.43 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.606 0.717 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.498 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.5 Cg_endo -69.84 -35.87 11.64 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.694 2.263 . . . . 0.0 112.358 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.498 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 39.5 m-85 -95.06 97.16 9.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 20' ' ' LYS . 1.4 p -113.03 135.29 52.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.149 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.415 ' HA ' HD11 ' A' ' 28' ' ' LEU . 39.8 t -67.33 124.85 24.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.61 29.26 1.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.541 ' CE2' ' HB3' ' A' ' 35' ' ' HIS . 2.0 t80 -117.59 -44.12 2.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.8 p -115.74 -46.55 2.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.98 36.59 0.7 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.493 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.45 ' O ' HG23 ' A' ' 14' ' ' VAL . 7.3 mtpm? -104.0 147.64 27.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.826 0.346 . . . . 0.0 110.873 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.77 148.28 25.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.086 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -138.55 127.28 23.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.96 -21.0 75.14 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.519 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 43.6 mt -123.64 146.6 48.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.813 0.339 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 63.3 p -61.49 -56.28 21.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.08 -42.48 60.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.098 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.406 ' OE1' ' N ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -54.17 -33.27 57.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.415 HD11 ' HA ' ' A' ' 15' ' ' CYS . 16.0 tp -76.93 -54.94 5.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.925 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.0 t -52.1 -43.22 37.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -67.17 -22.84 65.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.411 ' C ' ' N ' ' A' ' 33' ' ' ARG . 10.5 t60 -81.88 -48.7 11.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -45.54 -21.08 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.411 ' N ' ' C ' ' A' ' 31' ' ' HIS . 23.7 mtp85 -51.41 -41.44 60.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.8 pt -63.45 -18.72 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.541 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 42.4 m-70 -90.83 -15.42 30.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 71.5 p -116.1 85.33 2.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 149.38 76.99 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.49 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -91.43 -19.82 22.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.923 0.392 . . . . 0.0 110.905 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.9 pttm -124.13 149.68 61.16 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.592 0.71 . . . . 0.0 110.871 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -17.38 37.83 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.635 2.223 . . . . 0.0 112.374 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.8 m -104.24 130.71 52.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -115.79 67.64 0.29 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -10.73 29.29 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.692 2.261 . . . . 0.0 112.339 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.5 t -139.63 153.82 47.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.0 m 62.5 40.53 10.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 CA-C-O 119.105 -0.831 . . . . 0.0 112.488 -179.963 . . . . . . . . 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 -0.314 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 3' ' ' SER . 12.7 t -159.02 107.15 1.84 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.897 0.38 . . . . 0.0 110.886 -179.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 2' ' ' SER . 27.8 m -34.71 -46.66 0.3 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.793 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.74 -48.22 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.517 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.8 p -38.42 121.24 0.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.879 0.371 . . . . 0.0 110.854 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.1 m -84.07 48.7 1.51 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.8 -172.89 0.9 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.494 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 99.3 p -137.38 162.32 33.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.931 0.396 . . . . 0.0 110.834 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 116.08 74.07 0.54 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.454 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -149.3 130.74 14.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.873 0.368 . . . . 0.0 110.888 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.502 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 17.2 mmtp -86.52 142.76 35.34 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.569 0.7 . . . . 0.0 110.896 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.567 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.78 -50.72 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.644 2.229 . . . . 0.0 112.381 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.567 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 28.4 m-85 -74.8 102.74 4.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 43.9 t -119.0 108.61 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.108 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.4 t -54.89 112.85 1.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -73.58 -15.49 61.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.493 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 3.1 t80 -65.2 -60.55 2.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.6 p -104.97 -34.17 8.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.13 37.62 2.29 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.491 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.463 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 27.1 mttm -95.0 172.23 8.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.799 0.333 . . . . 0.0 110.925 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.502 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -123.31 154.87 38.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.491 ' CG ' ' O ' ' A' ' 21' ' ' ALA . 59.6 m-85 -159.88 126.13 4.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.19 -37.81 81.85 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.467 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.596 HD12 ' HB3' ' A' ' 26' ' ' ALA . 0.5 OUTLIER -98.48 130.59 45.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.846 0.355 . . . . 0.0 110.906 -179.92 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.499 ' HB2' ' CZ ' ' A' ' 13' ' ' TYR . 14.5 t -49.75 -58.28 5.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.596 ' HB3' HD12 ' A' ' 24' ' ' LEU . . . -39.22 -57.28 1.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.117 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -39.29 -47.97 1.77 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.505 HD22 ' HB3' ' A' ' 13' ' ' TYR . 29.9 tp -63.98 -50.01 70.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.92 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.8 t -55.56 -40.79 60.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -80.33 -28.11 38.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.465 ' O ' ' N ' ' A' ' 33' ' ' ARG . 10.6 t60 -69.61 -57.21 5.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -40.36 -25.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 31' ' ' HIS . 30.3 mtp180 -50.43 -43.98 55.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.4 HG13 ' N ' ' A' ' 35' ' ' HIS . 8.0 pt -50.15 -21.55 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.167 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.493 ' HB3' ' CZ ' ' A' ' 17' ' ' TYR . 48.8 m-70 -86.05 -28.83 23.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.822 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 36.5 p -90.11 -61.95 1.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.097 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.82 -168.75 1.34 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.465 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -95.32 71.66 3.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.88 0.371 . . . . 0.0 110.913 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.475 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 21.8 tttm -131.7 140.63 38.9 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.604 0.716 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.475 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 53.6 Cg_endo -69.79 -7.81 22.0 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.715 2.277 . . . . 0.0 112.31 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.5 m -83.19 39.01 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.795 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -152.82 157.27 27.2 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 97.58 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.638 2.225 . . . . 0.0 112.327 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 54.5 p -108.86 44.95 1.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.825 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.7 t -116.65 151.38 36.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.472 -179.968 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.0 m -101.63 120.57 40.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.897 0.379 . . . . 0.0 110.857 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.0 p -157.93 109.44 2.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.873 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 42.18 91.0 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.458 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.1 t -85.43 90.69 8.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.905 0.383 . . . . 0.0 110.847 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.6 t -117.53 -56.35 2.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.856 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 56.37 43.12 89.94 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.468 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.4 m -100.49 85.36 2.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.888 0.375 . . . . 0.0 110.867 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . 81.62 68.56 1.45 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 9' ' ' GLY . 1.8 mp0 -37.67 129.47 1.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.898 0.38 . . . . 0.0 110.88 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.614 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 42.6 mmtt -53.61 152.99 8.4 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.537 0.684 . . . . 0.0 110.923 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.489 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.76 -37.01 9.74 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.646 2.231 . . . . 0.0 112.346 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.581 ' HB3' HD22 ' A' ' 28' ' ' LEU . 67.2 m-85 -89.67 118.33 29.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 97.5 t -122.48 126.2 73.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.156 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.484 ' HA ' HD11 ' A' ' 28' ' ' LEU . 52.2 t -63.36 114.13 3.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -81.3 42.38 0.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.559 ' CD1' ' CE1' ' A' ' 35' ' ' HIS . 4.2 t80 -134.56 -52.93 0.82 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.946 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.8 p -112.2 -43.9 3.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.32 52.69 0.28 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt -108.88 172.31 6.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.329 . . . . 0.0 110.917 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.614 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -125.36 148.22 48.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.446 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 48.1 m-85 -149.6 132.81 16.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.0 -36.58 46.18 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.463 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' A' ' 24' ' ' LEU . 4.4 mm? -102.34 142.54 33.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.797 0.332 . . . . 0.0 110.916 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.2 p -59.18 -44.39 92.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.02 -42.73 85.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.112 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -52.95 -44.48 67.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.581 HD22 ' HB3' ' A' ' 13' ' ' TYR . 44.3 tp -67.31 -43.83 80.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.1 t -60.55 -47.58 92.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.167 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.482 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 12.1 ptp180 -65.18 -39.08 92.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.482 ' O ' ' N ' ' A' ' 33' ' ' ARG . 12.3 t60 -61.0 -57.45 12.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.832 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 31' ' ' HIS . 44.1 mt-30 -36.31 -30.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.942 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.482 ' CG ' ' O ' ' A' ' 30' ' ' ARG . 2.2 mmp_? -46.69 -47.92 20.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.479 HG13 ' N ' ' A' ' 35' ' ' HIS . 29.8 pt -43.11 -33.66 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.559 ' CE1' ' CD1' ' A' ' 17' ' ' TYR . 92.4 m-70 -82.16 -28.93 31.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.477 ' N ' ' O ' ' A' ' 33' ' ' ARG . 2.7 t -155.1 116.75 4.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.18 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.19 41.76 0.58 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.52 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.411 ' CD ' ' HA ' ' A' ' 34' ' ' ILE . 21.3 pt-20 -173.85 168.15 4.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.954 0.407 . . . . 0.0 110.895 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.9 mptt -55.97 143.9 60.29 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.566 0.698 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 127.66 14.95 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.698 2.266 . . . . 0.0 112.324 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.7 m -121.34 -48.88 2.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 177.04 75.57 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.48 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -42.16 3.68 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.665 2.244 . . . . 0.0 112.389 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.7 t -66.91 129.5 40.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 37.9 p -110.34 -55.44 2.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.504 179.995 . . . . . . . . 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 -0.319 0 N-CA-C 112.439 -0.264 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.3 t -163.68 113.41 1.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.932 0.396 . . . . 0.0 110.849 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t -174.51 175.43 2.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.05 -168.77 14.07 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.492 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.7 m -125.2 101.18 6.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.896 0.379 . . . . 0.0 110.85 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.6 p -120.43 85.88 2.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.52 78.96 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.471 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 99.1 p -58.59 122.15 12.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.87 0.367 . . . . 0.0 110.865 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 71.24 132.22 0.1 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -110.52 177.01 4.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.929 0.395 . . . . 0.0 110.886 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.478 ' HG2' ' N ' ' A' ' 23' ' ' GLY . 0.1 OUTLIER -93.28 143.67 27.08 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.568 0.699 . . . . 0.0 110.917 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.438 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.73 -39.18 6.88 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.658 2.238 . . . . 0.0 112.353 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.438 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 77.3 m-85 -87.82 95.46 10.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.8 p -122.43 123.92 69.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.147 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 30.0 t -59.18 115.38 3.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -80.82 2.34 26.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.839 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -87.85 -52.2 5.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.3 p -109.01 -48.76 3.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.89 42.27 0.34 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.483 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.552 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 72.3 mttt -103.36 141.14 36.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.764 0.316 . . . . 0.0 110.919 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.44 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -96.6 151.93 19.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.074 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.484 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 72.0 m-85 -153.95 130.1 10.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.478 ' N ' ' HG2' ' A' ' 11' ' ' LYS . . . -88.62 32.11 4.64 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.51 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.8 tp -167.77 138.01 2.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.841 0.353 . . . . 0.0 110.92 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 93.7 p -56.35 -54.41 45.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.17 -45.25 61.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.066 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -52.79 -44.95 66.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.3 tp -69.19 -59.51 2.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.8 t -47.58 -47.43 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.168 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 -61.15 -32.21 71.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.552 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 22.3 t60 -72.19 -52.01 18.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -41.31 -24.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 31' ' ' HIS . 38.6 mtt85 -49.45 -42.64 43.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.424 HD11 ' CE1' ' A' ' 31' ' ' HIS . 20.7 pt -60.56 -28.21 42.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -83.88 -10.93 57.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 71.4 p -124.25 177.28 5.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 101.53 -110.57 3.88 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.46 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -38.7 112.92 0.26 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.914 0.387 . . . . 0.0 110.87 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.74 69.28 1.08 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.593 0.711 . . . . 0.0 110.913 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 96.75 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.678 2.252 . . . . 0.0 112.321 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 57.9 m -52.53 160.15 0.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 61.4 171.72 0.96 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.483 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 175.1 8.5 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.704 2.269 . . . . 0.0 112.384 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.2 m -157.23 139.79 14.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.871 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.6 m -41.41 122.8 1.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.473 179.998 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 1' ' ' GLY . 80.4 p 37.79 42.37 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.898 0.38 . . . . 0.0 110.882 -179.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.4 t -103.23 153.31 20.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.18 46.71 0.69 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.447 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.4 m -79.86 138.07 37.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.894 0.378 . . . . 0.0 110.822 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.6 p -72.59 137.69 46.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.36 58.15 4.91 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.505 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 72.1 m -119.63 171.85 8.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.917 0.389 . . . . 0.0 110.856 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.08 61.84 0.53 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.505 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -90.95 133.06 35.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.925 0.393 . . . . 0.0 110.888 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.779 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -142.31 143.7 28.24 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.561 0.695 . . . . 0.0 110.942 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.515 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.8 Cg_endo -69.76 -50.73 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.632 2.221 . . . . 0.0 112.377 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.515 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 35.4 m-85 -73.91 114.1 11.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.8 t -125.94 109.0 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.095 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.7 t -46.74 133.62 10.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -96.44 32.1 2.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.572 ' CE2' ' HB3' ' A' ' 35' ' ' HIS . 3.2 t80 -124.41 -58.1 1.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -106.07 -48.5 3.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.51 24.65 1.38 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.469 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.596 ' HD2' ' CZ ' ' A' ' 22' ' ' PHE . 0.4 OUTLIER -86.34 129.7 34.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.776 0.322 . . . . 0.0 110.9 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.779 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -91.13 154.43 19.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.596 ' CZ ' ' HD2' ' A' ' 20' ' ' LYS . 91.2 m-85 -145.31 140.44 27.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.842 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -78.27 -21.98 68.97 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.505 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -116.41 162.72 17.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.811 0.339 . . . . 0.0 110.911 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.485 ' HB3' ' CZ ' ' A' ' 13' ' ' TYR . 89.7 p -81.4 -36.19 29.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.403 ' HB1' HH11 ' A' ' 30' ' ' ARG . . . -66.84 -41.17 87.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.065 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -53.99 -46.61 71.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.4 tp -57.9 -53.95 52.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.0 t -50.09 -46.41 24.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.087 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.496 ' O ' ' CZ ' ' A' ' 33' ' ' ARG . 0.9 OUTLIER -69.98 -22.74 63.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.816 -179.895 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.498 ' HB2' ' CZ ' ' A' ' 22' ' ' PHE . 5.2 t60 -77.75 -52.7 8.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -44.76 -22.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.496 ' CZ ' ' O ' ' A' ' 30' ' ' ARG . 17.8 mtm105 -54.4 -42.86 70.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 19.0 pt -49.43 -27.02 2.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.14 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.572 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 39.6 m-70 -84.68 -27.35 27.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.816 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -148.84 127.31 12.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.18 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.05 -87.9 0.2 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.496 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -88.76 114.46 25.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.928 0.394 . . . . 0.0 110.86 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.5 mmtm -42.8 138.81 2.21 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.565 0.698 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 94.16 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.672 2.248 . . . . 0.0 112.359 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.6 m -93.93 107.94 19.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.846 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.91 150.97 7.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.521 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 88.03 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.657 2.238 . . . . 0.0 112.385 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.7 t -112.73 -179.92 3.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.9 m 60.04 50.36 6.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.447 -179.978 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -77.77 127.84 33.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.89 0.376 . . . . 0.0 110.836 -179.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.6 t -115.73 -50.38 2.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.85 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.82 126.93 7.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.491 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.0 p -163.08 142.29 8.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.845 0.355 . . . . 0.0 110.862 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 m -147.94 165.17 31.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.94 89.37 0.54 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.531 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.0 t -143.55 140.62 30.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.885 0.374 . . . . 0.0 110.868 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.36 100.15 1.66 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.496 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -108.74 178.07 4.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.914 0.387 . . . . 0.0 110.905 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.459 ' HD2' ' CA ' ' A' ' 23' ' ' GLY . 25.3 mmtp -135.2 149.13 69.17 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.6 0.714 . . . . 0.0 110.883 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.46 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.81 -46.15 1.31 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.673 2.249 . . . . 0.0 112.357 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.46 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 59.4 m-85 -80.96 149.21 29.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.68 HG13 ' O ' ' A' ' 20' ' ' LYS . 97.8 t -155.35 129.06 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.131 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.5 t -77.52 78.46 4.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -39.09 -32.02 0.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -47.2 -64.52 0.76 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.937 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.0 p -99.69 -44.91 5.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.04 35.29 0.78 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.68 ' O ' HG13 ' A' ' 14' ' ' VAL . 28.4 tttm -94.87 167.74 11.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.794 0.331 . . . . 0.0 110.942 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.447 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -118.66 152.75 35.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.075 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.558 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 7.9 m-85 -153.86 137.8 16.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.889 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.459 ' CA ' ' HD2' ' A' ' 11' ' ' LYS . . . -77.52 -33.8 42.06 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.562 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.5 mp -107.89 171.57 7.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.823 0.345 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 39.1 p -82.18 -51.96 7.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.97 -43.09 69.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -54.41 -40.2 68.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.3 tp -69.03 -49.39 58.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.6 t -59.28 -41.61 84.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.79 -25.89 65.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.76 ' O ' HD12 ' A' ' 34' ' ' ILE . 7.4 t60 -73.56 -49.27 27.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -52.27 -15.8 0.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -52.7 -37.15 58.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.76 HD12 ' O ' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -65.49 -18.4 23.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.094 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.566 ' N ' HD13 ' A' ' 34' ' ' ILE . 26.9 m-70 -83.92 -21.91 31.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 75.5 p -105.1 110.16 22.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.141 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.36 -118.09 3.75 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.486 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -103.32 173.18 6.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.927 0.394 . . . . 0.0 110.853 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.0 82.7 29.3 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.538 0.685 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -45.44 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.685 2.257 . . . . 0.0 112.33 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.5 m -144.36 136.37 26.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -85.92 146.13 21.15 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.462 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 115.75 4.23 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.67 2.247 . . . . 0.0 112.391 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.1 p -95.24 -45.19 7.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.3 t -75.05 -53.25 9.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.843 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 CA-C-O 119.159 -0.8 . . . . 0.0 112.495 -179.975 . . . . . . . . 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 -0.304 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.7 m -110.55 90.1 3.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.846 0.355 . . . . 0.0 110.825 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.0 m -96.09 -61.57 1.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.849 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.17 62.31 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -80.99 100.43 8.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.887 0.375 . . . . 0.0 110.861 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -148.74 152.16 36.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.14 43.92 3.08 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.502 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 95.1 p -155.93 161.61 40.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.904 0.383 . . . . 0.0 110.877 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . 85.24 -34.74 3.22 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.522 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 9' ' ' GLY . 8.3 mt-10 -37.0 122.18 0.82 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.908 0.385 . . . . 0.0 110.881 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.634 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 47.2 mmtt -60.39 143.9 88.89 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.554 0.693 . . . . 0.0 110.94 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.467 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.8 Cg_endo -69.73 -49.85 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.665 2.244 . . . . 0.0 112.356 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.554 ' HB3' HD22 ' A' ' 28' ' ' LEU . 37.4 m-85 -75.86 112.35 12.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 93.1 t -127.07 130.67 71.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.085 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.436 ' SG ' ' N ' ' A' ' 16' ' ' ASP . 1.6 t -71.51 157.39 38.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.436 ' N ' ' SG ' ' A' ' 15' ' ' CYS . 44.4 m-20 -101.52 -36.24 8.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.416 ' HB3' ' NE2' ' A' ' 35' ' ' HIS . 6.4 t80 -52.11 -66.79 0.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.4 p -98.73 -46.93 5.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.43 22.11 3.83 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.478 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.595 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -70.29 151.78 44.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.768 0.318 . . . . 0.0 110.927 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.634 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -110.75 146.36 36.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.094 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.595 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 95.5 m-85 -143.83 141.94 30.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -92.59 25.55 18.12 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.536 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 46.9 tp -165.08 123.55 1.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.792 0.329 . . . . 0.0 110.925 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.468 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 43.6 t -43.72 -52.9 6.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.94 -50.55 14.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -55.9 -45.52 78.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.554 HD22 ' HB3' ' A' ' 13' ' ' TYR . 34.2 tp -62.23 -55.94 23.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.933 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 64.5 t -55.79 -37.75 48.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -78.89 -20.64 48.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.453 ' CG ' ' CE2' ' A' ' 22' ' ' PHE . 11.9 t60 -74.57 -46.29 39.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -48.64 -19.39 0.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 34.2 mtp85 -57.55 -41.44 81.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.8 pt -56.11 -20.09 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.416 ' NE2' ' HB3' ' A' ' 17' ' ' TYR . 49.5 m-70 -88.8 -24.47 22.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.811 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 80.7 p -110.2 104.95 13.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.159 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 159.81 -149.22 18.71 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -128.75 161.27 30.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.947 0.403 . . . . 0.0 110.879 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.439 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 18.4 pttt -122.16 54.05 5.04 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.562 0.696 . . . . 0.0 110.917 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.439 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 54.0 Cg_endo -69.74 -44.52 2.04 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.714 2.276 . . . . 0.0 112.342 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 55.6 m -87.68 -72.35 0.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -143.97 146.23 16.6 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.459 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 112.65 3.13 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.707 2.271 . . . . 0.0 112.358 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.6 t -50.22 103.13 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.845 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.7 t -62.87 149.97 43.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.152 -0.805 . . . . 0.0 112.471 179.978 . . . . . . . . 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 -0.35 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t -57.53 141.49 47.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.872 0.367 . . . . 0.0 110.858 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.1 p -78.94 -53.56 6.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.875 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.32 -102.2 0.19 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.437 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -73.23 96.22 2.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.868 0.366 . . . . 0.0 110.846 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.3 m -72.45 93.22 1.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.37 54.68 0.65 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.528 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.6 t -110.81 132.82 53.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.894 0.378 . . . . 0.0 110.883 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.14 -127.43 4.89 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.437 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -167.96 146.3 4.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.916 0.389 . . . . 0.0 110.899 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.5 mmtm -147.09 149.17 34.53 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.573 0.701 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.477 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.77 -22.42 32.05 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.688 2.258 . . . . 0.0 112.347 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.477 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 69.9 m-85 -98.69 87.22 3.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.6 t -110.39 115.65 50.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.128 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.9 t -44.74 153.63 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -107.56 -28.48 9.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.83 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.551 ' HB3' ' CD2' ' A' ' 35' ' ' HIS . 2.2 t80 -60.79 -51.54 68.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.9 p -117.57 -42.95 2.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.61 85.69 1.78 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.51 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.6 ttpp -142.17 131.81 24.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.778 0.323 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.93 143.61 32.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.095 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -132.99 -73.55 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 125.12 -30.01 4.68 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.446 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 25' ' ' SER . 3.8 mm? -119.65 111.15 17.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.787 0.327 . . . . 0.0 110.958 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.562 ' O ' HG23 ' A' ' 29' ' ' VAL . 31.2 t -34.55 -52.11 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.37 -60.3 2.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.105 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -49.61 -48.8 48.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.0 tp -55.89 -46.23 78.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 25' ' ' SER . 92.9 t -54.5 -54.69 20.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.086 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 86.3 mtt-85 -55.14 -19.71 8.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.427 ' O ' HG23 ' A' ' 34' ' ' ILE . 28.5 t60 -88.69 -56.31 3.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -46.04 -22.95 0.25 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -75.04 -36.37 61.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.434 HD11 ' CE1' ' A' ' 35' ' ' HIS . 1.5 pp -50.14 -28.1 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.551 ' CD2' ' HB3' ' A' ' 17' ' ' TYR . 76.7 m-70 -72.25 -29.12 63.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.535 HG23 ' O ' ' A' ' 36' ' ' THR . 6.6 t -135.72 109.49 8.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.153 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 123.57 76.91 0.34 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.452 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -94.53 150.14 20.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.917 0.389 . . . . 0.0 110.91 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -85.88 144.14 38.88 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.539 0.685 . . . . 0.0 110.956 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 89.79 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.632 2.221 . . . . 0.0 112.376 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 77.6 p -64.42 146.89 53.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.75 162.02 37.35 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.486 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.2 Cg_endo -69.85 2.81 3.24 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.671 2.247 . . . . 0.0 112.313 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 43' ' ' PRO . 77.3 p -34.57 128.84 0.43 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 72.5 p -77.67 102.54 7.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.838 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 119.166 -0.797 . . . . 0.0 112.456 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.8 p -128.62 121.82 29.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.878 0.371 . . . . 0.0 110.861 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -171.58 165.17 6.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.41 36.52 2.77 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.496 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.0 p -47.35 -50.38 22.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 110.836 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.5 m -48.85 142.16 6.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.848 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.63 -76.54 0.27 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.469 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 94.3 p -64.87 122.12 16.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.905 0.383 . . . . 0.0 110.826 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -141.72 -161.22 8.64 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.475 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 51.44 49.26 21.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.909 0.385 . . . . 0.0 110.898 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.88 143.92 5.9 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.6 0.714 . . . . 0.0 110.852 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.505 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.76 -37.33 9.33 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.68 2.253 . . . . 0.0 112.32 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.505 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 29.2 m-85 -93.56 97.11 10.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 20' ' ' LYS . 4.8 p -126.14 120.71 57.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.167 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.495 ' SG ' ' NE2' ' A' ' 32' ' ' GLN . 47.0 t -60.12 134.8 57.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -89.95 -32.96 16.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.877 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.408 ' HB3' ' NE2' ' A' ' 35' ' ' HIS . 0.8 OUTLIER -49.65 -56.82 8.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.825 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.5 p -102.12 -47.63 4.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.37 38.7 0.91 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.646 ' O ' HG23 ' A' ' 14' ' ' VAL . 16.8 mtpt -97.15 147.0 24.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.78 0.324 . . . . 0.0 110.935 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.07 141.84 30.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.12 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.535 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 30.3 m-85 -144.42 136.34 26.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -85.41 -27.69 32.25 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.482 ' CB ' ' OE2' ' A' ' 27' ' ' GLU . 39.0 mt -107.23 128.96 54.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.841 0.353 . . . . 0.0 110.919 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.481 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 30.5 t -50.48 -52.28 39.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.459 ' HB1' HH21 ' A' ' 30' ' ' ARG . . . -53.37 -43.39 67.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.102 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.482 ' OE2' ' CB ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -56.41 -35.78 68.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.459 HD11 HE21 ' A' ' 32' ' ' GLN . 19.2 tp -73.84 -47.44 38.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.947 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 71.5 t -59.51 -51.35 73.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.161 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 30' ' ' ARG . 4.5 ptp180 -59.17 -28.77 66.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.759 ' O ' HD12 ' A' ' 34' ' ' ILE . 7.0 t60 -72.09 -48.7 42.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.495 ' NE2' ' SG ' ' A' ' 15' ' ' CYS . 31.0 mm-40 -49.49 -17.55 0.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 47.0 mtt180 -53.22 -36.37 60.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.759 HD12 ' O ' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -65.73 -17.31 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.564 ' N ' HD13 ' A' ' 34' ' ' ILE . 29.0 m-70 -89.77 -3.4 58.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.828 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 73.5 p -128.73 130.56 47.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.098 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.8 -78.86 0.42 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.497 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -56.18 130.26 43.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.902 0.382 . . . . 0.0 110.902 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.9 mtpt -131.91 144.18 52.16 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.552 0.691 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -23.38 30.73 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.729 2.286 . . . . 0.0 112.294 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.2 t -165.46 -178.76 5.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.911 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.52 167.22 41.13 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.486 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 104.51 1.34 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.678 2.252 . . . . 0.0 112.352 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.5 m -54.39 -57.61 10.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.7 m -70.58 100.63 1.86 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.838 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.454 179.982 . . . . . . . . 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 1.451 -0.304 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.3 p -58.3 150.09 22.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.839 0.352 . . . . 0.0 110.862 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.6 m -133.56 41.91 3.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.99 119.37 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.452 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.9 t -54.93 119.49 5.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.913 0.387 . . . . 0.0 110.847 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -80.25 -44.75 19.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.09 72.21 2.65 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.482 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.6 t -93.05 127.67 38.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.938 0.399 . . . . 0.0 110.843 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -94.81 73.79 0.99 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.501 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -81.06 90.6 6.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.925 0.393 . . . . 0.0 110.907 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.401 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 23.8 mmtm -78.52 151.25 77.32 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.544 0.688 . . . . 0.0 110.893 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -36.29 11.05 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.71 2.273 . . . . 0.0 112.332 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -90.14 106.47 18.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.5 t -117.48 123.92 72.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.147 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 52.1 t -74.25 82.11 1.84 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -42.4 -25.79 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.422 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 2.1 t80 -51.86 -65.44 0.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.9 p -104.19 -41.71 5.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.0 36.13 0.78 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.505 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.506 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 7.0 tptp -94.19 156.31 16.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.8 0.333 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.401 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -113.87 147.36 38.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.096 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.506 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 27.3 m-85 -151.28 131.54 13.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.85 -39.36 55.08 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -101.6 139.79 36.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.819 0.342 . . . . 0.0 110.927 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 34.4 p -56.42 -55.11 37.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.22 -45.88 8.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -52.7 -43.43 65.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.2 tp -63.15 -39.45 94.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.7 t -61.97 -56.17 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.43 ' NH1' ' HB2' ' A' ' 30' ' ' ARG . 26.1 mtm105 -61.15 -11.58 9.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.778 ' O ' HG23 ' A' ' 34' ' ' ILE . 20.8 t60 -92.54 -61.94 1.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -43.65 -35.95 1.97 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.4 ptt85 -45.65 -40.03 8.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.778 HG23 ' O ' ' A' ' 31' ' ' HIS . 12.9 pt -47.95 -35.73 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.422 ' HB3' ' CZ ' ' A' ' 17' ' ' TYR . 59.7 m-70 -78.98 -23.53 44.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.8 t -133.97 103.32 5.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.154 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -170.7 -49.18 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.459 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -99.59 133.45 43.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.984 0.421 . . . . 0.0 110.836 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.9 ttpp -55.48 130.87 70.59 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.542 0.687 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 110.89 2.66 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.632 2.221 . . . . 0.0 112.406 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 87.3 p -99.1 78.45 2.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.27 149.72 41.08 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.467 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.4 Cg_endo -69.8 -42.69 3.15 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.704 2.269 . . . . 0.0 112.295 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 43' ' ' PRO . 43.3 t -34.72 -63.25 0.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 26.1 t -60.44 95.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.49 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_