data_1hyk_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 1hyk _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 1' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.449 0 CA-C-O 120.948 0.404 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.469 ' O ' ' HB2' ' A' ' 16' ' ' CYS . 0.3 OUTLIER -94.98 177.95 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.699 179.682 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -79.7 -163.56 0.54 Allowed 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.994 -179.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 40.0 tp -68.83 -39.69 79.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.392 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -155.85 77.69 0.97 Allowed 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 120.878 0.37 . . . . 0.0 111.849 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -140.51 174.31 10.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.561 179.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.89 143.02 51.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.881 0.372 . . . . 0.0 111.304 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' A' ' 9' ' ' LEU . 24.2 p -109.49 -2.57 17.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.226 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 8' ' ' CYS . 1.9 pp 22.32 99.52 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.48 -24.67 8.0 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.846 179.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 69.92 2.48 3.9 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.63 0.233 . . . . 0.0 111.63 -179.613 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.49 -10.28 35.48 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.694 0.283 . . . . 0.0 111.001 179.498 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.9 t -100.93 90.56 1.58 Allowed Pre-proline 0 C--N 1.333 -0.152 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.118 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -64.9 153.74 76.54 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.337 2.025 . . . . 0.0 112.089 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.447 ' HA ' HG11 ' A' ' 2' ' ' VAL . 6.1 t -66.11 136.0 55.36 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.474 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER -72.05 -7.15 47.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.08 179.126 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.87 133.28 32.53 Favored Pre-proline 0 C--O 1.234 0.244 0 CA-C-O 120.988 0.423 . . . . 0.0 111.346 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -53.74 134.9 60.69 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.575 2.183 . . . . 0.0 112.079 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 33.9 t 63.98 13.75 7.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.575 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -105.12 134.31 48.44 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 120.637 0.256 . . . . 0.0 110.901 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 t -137.7 146.39 43.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.254 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 5.4 t -73.05 131.54 42.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.199 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.439 ' CD1' ' HG3' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -131.44 148.01 52.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.484 179.602 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 40.2 m -99.66 128.12 45.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.129 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.17 -10.52 59.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.319 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.491 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.45 -154.76 0.56 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.888 179.72 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.491 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.65 -71.0 0.09 Allowed 'General case' 0 N--CA 1.445 -0.715 0 CA-C-O 120.912 0.387 . . . . 0.0 110.535 179.562 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -155.19 75.88 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.779 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -153.09 -61.57 0.15 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.856 0.36 . . . . 0.0 111.585 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -84.33 59.02 5.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.832 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 31.0 m -97.57 103.07 14.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -137.68 163.61 30.86 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 13.5 t -53.99 145.97 15.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.13 0.491 . . . . 0.0 111.384 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.439 ' HG3' ' CD1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -139.05 127.92 23.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.389 179.36 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.22 14.09 4.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.718 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.61 111.15 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 121.201 0.524 . . . . 0.0 111.205 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.16 54.51 3.53 Favored Glycine 0 N--CA 1.451 -0.308 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.581 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.6 p -91.28 77.11 5.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.934 0.397 . . . . 0.0 110.59 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.06 -17.13 50.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.61 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.8 ttm -84.03 -38.27 21.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.832 0.348 . . . . 0.0 110.784 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -150.26 69.41 8.93 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.758 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_endo -77.91 145.82 22.77 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.671 2.247 . . . . 0.0 112.533 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 36.6 m -82.29 -118.34 0.02 OUTLIER 'General case' 0 N--CA 1.435 -1.184 0 CA-C-O 121.285 0.564 . . . . 0.0 110.815 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.316 -0.853 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.989 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.474 0 CA-C-O 120.759 0.314 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.45 ' O ' ' HB2' ' A' ' 16' ' ' CYS . 0.8 OUTLIER -94.16 -179.35 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.578 179.522 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -79.73 -169.36 1.93 Allowed 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.075 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.6 tp -68.23 -33.94 75.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.229 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.69 71.84 0.83 Allowed 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.057 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -138.92 167.51 21.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.683 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.4 p -65.54 142.52 58.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.731 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.479 ' O ' ' C ' ' A' ' 9' ' ' LEU . 27.9 p -108.38 -20.34 13.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.318 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.538 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 1.9 pt? 18.18 98.9 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.257 0.623 . . . . 0.0 112.649 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.402 ' C ' ' H ' ' A' ' 12' ' ' GLN . . . 147.48 -28.58 1.49 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.42 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 74.89 -31.56 0.21 Allowed 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.402 ' H ' ' C ' ' A' ' 10' ' ' GLY . 0.0 OUTLIER -88.01 0.49 55.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.477 0.18 . . . . 0.0 111.42 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.1 t -105.29 86.41 1.64 Allowed Pre-proline 0 C--N 1.331 -0.209 0 CA-C-O 120.673 0.273 . . . . 0.0 111.261 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -69.7 158.35 57.33 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.467 2.112 . . . . 0.0 112.327 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.9 t -66.39 137.91 57.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.505 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.45 ' HB2' ' O ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER -72.77 -6.48 45.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.322 179.245 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.67 135.52 27.61 Favored Pre-proline 0 C--O 1.233 0.224 0 CA-C-O 120.814 0.34 . . . . 0.0 111.679 -179.278 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -55.26 135.88 70.97 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.488 2.125 . . . . 0.0 111.689 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.9 t 63.66 13.98 7.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.839 -179.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -107.12 128.24 54.21 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-O 120.903 0.382 . . . . 0.0 111.048 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.3 t -134.84 143.3 46.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.65 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 29.6 t -71.7 149.16 45.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.967 0.413 . . . . 0.0 111.274 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.441 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -153.83 151.25 29.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.587 179.666 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.3 m -104.25 138.7 40.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.022 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.58 -11.0 60.47 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.242 179.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.491 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.38 -155.22 0.59 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.844 179.745 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.491 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.96 -66.82 0.36 Allowed 'General case' 0 N--CA 1.445 -0.724 0 CA-C-O 120.924 0.392 . . . . 0.0 110.554 179.531 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -156.08 83.44 1.0 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.636 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -150.82 -77.37 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.709 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -84.39 71.53 10.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.891 0.377 . . . . 0.0 111.172 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.3 m -98.3 108.58 21.31 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.963 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -137.12 171.14 14.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.058 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 14.1 t -61.51 145.24 52.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.42 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.441 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 17.0 ttt85 -136.67 117.79 14.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.237 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 38.4 mtpt -84.91 22.17 1.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.905 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 58.47 109.01 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 121.262 0.553 . . . . 0.0 111.305 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -82.16 53.93 4.81 Favored Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.478 -0.783 . . . . 0.0 112.641 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.4 p -91.78 76.8 5.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.894 0.378 . . . . 0.0 110.595 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.58 -16.99 53.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.483 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -84.09 -38.55 20.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.862 0.363 . . . . 0.0 110.797 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -150.19 69.41 8.98 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -78.01 158.44 30.69 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.614 2.21 . . . . 0.0 112.42 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 50.5 m -81.51 -116.64 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.051 0 CA-C-O 121.154 0.502 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.6 m . . . . . 0 C--N 1.315 -0.909 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.053 -179.846 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.418 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.449 0 CA-C-O 120.757 0.313 . . . . 0.0 110.925 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.1 t -94.04 164.62 2.06 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.274 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.638 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 -78.57 -166.38 0.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.925 -179.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 tp -68.66 -34.47 75.76 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.425 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.91 68.03 0.7 Allowed 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.181 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -140.32 158.31 44.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.599 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.6 t -60.14 151.55 26.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.608 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.457 ' O ' ' C ' ' A' ' 9' ' ' LEU . 20.9 p -107.66 -26.94 10.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.217 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.457 ' C ' ' O ' ' A' ' 8' ' ' CYS . 1.6 pp 23.7 93.07 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.285 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.6 -22.62 0.25 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.733 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 74.59 -51.7 0.68 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.675 0.238 . . . . 0.0 111.471 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -90.55 36.92 0.9 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.843 0.354 . . . . 0.0 111.067 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.5 t -136.98 83.2 28.87 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.036 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -72.76 163.75 37.54 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.607 2.205 . . . . 0.0 112.241 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.7 t -63.89 140.37 58.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.275 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.418 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.65 -4.15 29.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.764 179.718 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -96.87 141.95 23.82 Favored Pre-proline 0 C--O 1.233 0.228 0 CA-C-O 120.999 0.428 . . . . 0.0 111.755 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -56.0 134.93 67.12 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.644 2.229 . . . . 0.0 111.765 179.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 47.0 t 64.14 12.74 7.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.072 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -105.51 130.12 53.65 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 120.919 0.39 . . . . 0.0 110.863 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.0 t -136.02 150.0 49.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.729 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.4 t -71.21 107.54 4.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.977 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -98.81 140.88 32.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.818 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 78.2 m -107.94 118.49 36.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.661 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.06 -10.01 59.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.549 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.494 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.67 -160.05 1.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 179.604 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.494 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -57.12 -67.26 0.33 Allowed 'General case' 0 N--CA 1.445 -0.707 0 CA-C-O 120.967 0.413 . . . . 0.0 110.386 179.657 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -154.17 74.07 0.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.762 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.06 -60.83 0.16 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.766 0.317 . . . . 0.0 111.51 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.401 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 82.9 m-85 -85.22 54.23 3.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.012 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 83.3 m -97.33 98.94 10.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.856 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -137.1 165.49 25.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.135 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.5 t -57.15 139.36 52.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.061 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -141.56 123.67 15.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.396 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.12 24.65 1.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.676 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 59.74 110.3 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 121.255 0.55 . . . . 0.0 111.025 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -82.19 52.38 4.63 Favored Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 115.419 -0.809 . . . . 0.0 112.763 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 37.4 p -92.97 78.65 4.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.947 0.403 . . . . 0.0 110.399 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.52 -15.32 26.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.696 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.8 tpp -83.7 -38.35 21.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.784 0.326 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -150.47 68.15 8.38 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.167 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -76.21 158.87 37.32 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.661 2.24 . . . . 0.0 112.353 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 48.0 m -81.8 -116.88 0.02 OUTLIER 'General case' 0 N--CA 1.439 -1.008 0 CA-C-O 121.202 0.525 . . . . 0.0 110.865 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 C--N 1.315 -0.904 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.055 -179.814 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.516 0 CA-C-O 120.828 0.347 . . . . 0.0 111.054 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.429 ' CG1' ' HB2' ' A' ' 33' ' ' CYS . 1.4 p -95.51 179.33 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.727 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 23.7 mtt180 -79.29 -168.12 1.4 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.822 0.344 . . . . 0.0 111.487 -178.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tp -68.05 -36.91 80.67 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.471 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -153.28 69.61 0.83 Allowed 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.243 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -140.21 169.11 18.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.505 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.4 t -71.06 138.53 49.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.519 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.473 ' O ' ' C ' ' A' ' 9' ' ' LEU . 28.0 p -108.97 -24.02 11.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.379 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.473 ' C ' ' O ' ' A' ' 8' ' ' CYS . 1.5 pp 23.96 91.52 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 122.875 0.47 . . . . 0.0 111.972 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 172.78 -23.91 0.08 OUTLIER Glycine 0 CA--C 1.519 0.287 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.942 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 75.26 -52.71 0.66 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.729 0.265 . . . . 0.0 111.583 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.23 9.25 20.78 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.549 0.203 . . . . 0.0 111.549 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.0 t -105.76 84.95 1.34 Allowed Pre-proline 0 C--N 1.332 -0.194 0 CA-C-O 120.668 0.27 . . . . 0.0 111.084 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -70.28 160.12 50.64 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.472 2.115 . . . . 0.0 112.257 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.4 t -64.18 141.69 58.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.229 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER -71.74 -6.89 44.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.465 179.666 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -88.69 142.44 30.82 Favored Pre-proline 0 C--O 1.233 0.186 0 CA-C-O 120.835 0.35 . . . . 0.0 111.519 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -55.24 133.95 61.02 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.604 2.203 . . . . 0.0 111.88 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 59.0 15.67 4.14 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.409 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -102.33 134.42 45.65 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.85 0.357 . . . . 0.0 110.801 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.6 t -135.49 149.19 49.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -72.27 145.69 47.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.011 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.427 ' CD2' ' HG3' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -141.6 142.31 33.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.593 179.849 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 27.8 m -103.06 133.15 48.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.18 -9.94 59.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.302 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.491 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.06 -156.35 0.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.746 179.732 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.491 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.04 -68.03 0.24 Allowed 'General case' 0 N--CA 1.446 -0.654 0 CA-C-O 120.936 0.398 . . . . 0.0 110.392 179.508 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -156.03 80.24 0.99 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.722 179.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.87 -71.72 0.16 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.753 0.311 . . . . 0.0 111.771 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -83.9 68.57 10.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.045 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.5 m -100.19 111.07 23.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -136.99 167.95 20.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.941 0.401 . . . . 0.0 111.027 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.429 ' HB2' ' CG1' ' A' ' 2' ' ' VAL . 29.3 t -55.39 144.07 26.65 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.601 -179.581 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.427 ' HG3' ' CD2' ' A' ' 23' ' ' TYR . 14.5 ttt180 -135.33 114.88 12.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.362 179.436 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.45 11.79 7.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.839 -179.591 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 60.49 110.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.19 0.519 . . . . 0.0 111.196 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -80.19 55.44 4.59 Favored Glycine 0 N--CA 1.45 -0.384 0 CA-C-N 115.497 -0.774 . . . . 0.0 112.592 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.6 p -89.49 75.31 7.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.94 0.4 . . . . 0.0 110.557 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.64 -18.7 60.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.486 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.2 mtt -84.95 -34.21 22.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.706 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -150.17 65.98 7.63 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.838 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -79.59 167.41 20.87 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.615 2.21 . . . . 0.0 112.202 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 36.4 m -82.3 -119.34 0.02 OUTLIER 'General case' 0 N--CA 1.436 -1.146 0 CA-C-O 121.233 0.54 . . . . 0.0 110.705 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.316 -0.879 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.927 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.429 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.502 0 CA-C-O 120.741 0.305 . . . . 0.0 110.843 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.41 ' CG1' ' HB3' ' A' ' 6' ' ' GLU . 2.6 t -94.07 160.75 2.67 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.311 0 CA-C-O 121.031 0.444 . . . . 0.0 111.106 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.63 -169.88 2.36 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.977 -179.589 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.6 tp -68.76 -22.15 64.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.502 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.465 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 0.0 OUTLIER -155.84 71.11 0.73 Allowed 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 120.97 0.414 . . . . 0.0 111.252 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.41 ' HB3' ' CG1' ' A' ' 2' ' ' VAL . 12.8 tp10 -140.28 156.91 46.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.696 179.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.05 150.47 28.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.235 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 9' ' ' LEU . 7.0 p -111.97 -18.59 12.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.208 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 8' ' ' CYS . 1.3 pp 26.74 93.75 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 122.994 0.518 . . . . 0.0 112.289 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 134.33 -22.99 3.69 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.433 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 72.29 -3.07 2.38 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.15 20.32 9.31 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.672 0.272 . . . . 0.0 110.965 179.466 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.402 ' CG1' HG21 ' A' ' 2' ' ' VAL . 13.6 t -142.04 87.87 9.55 Favored Pre-proline 0 C--N 1.331 -0.203 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.205 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -73.33 161.07 43.61 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.564 2.176 . . . . 0.0 112.444 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.1 t -64.7 133.73 52.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.309 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.429 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -73.25 -3.76 28.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.479 179.395 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.45 140.03 24.02 Favored Pre-proline 0 C--O 1.234 0.284 0 CA-C-O 120.911 0.386 . . . . 0.0 111.607 -179.405 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -55.62 134.72 65.66 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.62 2.213 . . . . 0.0 111.769 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.7 t 64.2 13.22 7.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.041 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -106.32 131.16 53.87 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-O 120.801 0.334 . . . . 0.0 110.921 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.8 t -136.2 141.79 44.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.942 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.7 t -73.54 109.74 7.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.068 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.456 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 0.4 OUTLIER -108.18 149.26 28.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.61 179.749 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 8.4 m -101.85 140.76 35.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.18 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.89 -10.44 59.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.104 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.498 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.09 -155.06 0.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.751 179.664 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.498 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.3 -66.71 0.39 Allowed 'General case' 0 N--CA 1.444 -0.746 0 CA-C-O 120.947 0.403 . . . . 0.0 110.428 179.551 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 21.9 p-10 -156.39 83.66 0.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.684 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -150.81 -79.91 0.12 Allowed 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.468 ' CD2' ' CE1' ' A' ' 32' ' ' TYR . 1.8 t80 -84.11 76.76 10.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 111.12 -179.544 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 12.3 m -101.29 115.08 29.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.158 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.491 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.6 OUTLIER -136.95 160.31 39.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.812 179.788 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.9 t -53.27 140.42 26.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.097 0.475 . . . . 0.0 111.356 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.456 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 2.9 ttt180 -135.87 127.02 28.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.418 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.24 18.68 2.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.898 -179.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 58.94 109.39 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 121.205 0.526 . . . . 0.0 111.276 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.59 56.11 4.46 Favored Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.521 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -89.95 75.49 7.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.934 0.397 . . . . 0.0 110.697 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.98 -17.36 56.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.495 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.1 ttm -84.65 -41.57 16.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.841 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -149.72 73.12 9.68 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.94 158.56 34.56 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.577 2.184 . . . . 0.0 112.363 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 40.0 m -82.21 -117.62 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.093 0 CA-C-O 121.274 0.559 . . . . 0.0 110.93 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.317 -0.808 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.088 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 14' ' ' PRO . 1.9 p . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.754 0.312 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.3 t -95.86 165.41 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.458 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.7 mtp180 -76.68 -163.09 0.3 Allowed 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.867 -179.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.9 tp -67.36 -33.33 75.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.232 -179.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -155.25 52.98 0.62 Allowed 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.42 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -105.33 -178.73 3.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.618 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.6 t -96.9 145.24 26.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.443 ' O ' ' C ' ' A' ' 9' ' ' LEU . 26.8 p -110.05 -22.48 11.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.191 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER 25.25 94.81 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.07 -21.31 5.25 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.532 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 70.93 0.99 3.59 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.77 22.89 6.74 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.6 0.238 . . . . 0.0 110.859 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.9 t -141.81 92.29 7.93 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.325 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.403 ' O ' ' HB2' ' A' ' 1' ' ' CYS . 37.9 Cg_endo -68.36 155.5 69.0 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.35 2.034 . . . . 0.0 112.313 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.5 t -66.87 142.06 57.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.446 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 66.4 m -72.13 -8.51 55.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.285 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -97.23 132.77 24.93 Favored Pre-proline 0 C--O 1.235 0.297 0 CA-C-O 120.923 0.392 . . . . 0.0 112.021 -178.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -54.87 139.0 78.51 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.539 2.159 . . . . 0.0 111.402 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.1 t 65.8 9.32 5.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.084 -179.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -104.59 128.18 52.52 Favored 'General case' 0 N--CA 1.457 -0.08 0 CA-C-O 120.831 0.348 . . . . 0.0 110.563 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.2 t -132.2 146.91 52.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.922 0.391 . . . . 0.0 111.044 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.8 t -73.31 144.71 46.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.273 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.446 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 0.3 OUTLIER -147.81 147.53 29.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.581 179.503 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.8 m -101.62 132.47 47.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.102 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.06 -9.63 58.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.351 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.501 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -144.53 -155.0 0.57 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.847 179.645 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.501 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.76 -69.88 0.13 Allowed 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 120.929 0.395 . . . . 0.0 110.359 179.526 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -155.75 79.45 1.0 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.624 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.27 -67.92 0.16 Allowed 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -84.23 65.04 8.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.833 0.349 . . . . 0.0 111.049 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 22.7 m -98.01 107.94 20.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.826 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -136.86 168.82 18.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.095 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.6 t -62.9 147.13 51.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.219 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.446 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 3.3 tmm_? -138.39 119.71 14.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.302 179.415 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.7 mtpp -84.38 17.76 2.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.81 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 60.07 110.74 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 121.21 0.529 . . . . 0.0 111.139 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.27 54.58 4.3 Favored Glycine 0 N--CA 1.45 -0.384 0 CA-C-N 115.437 -0.801 . . . . 0.0 112.649 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.89 76.1 6.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.934 0.397 . . . . 0.0 110.615 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.55 -17.57 55.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.498 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.58 -40.97 16.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.845 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 -150.08 71.35 9.38 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.945 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -81.4 157.92 19.58 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.646 2.231 . . . . 0.0 112.354 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 45.8 m -82.31 -118.1 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.095 0 CA-C-O 121.166 0.508 . . . . 0.0 110.717 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.315 -0.921 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.104 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 3.1 p . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.998 0.428 . . . . 0.0 111.267 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -102.24 170.83 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.909 179.699 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.03 -179.89 7.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.987 -179.44 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.512 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 15.2 tp -71.84 -54.95 8.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -86.06 47.51 1.47 Allowed 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.404 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -142.3 167.08 22.95 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.054 0.454 . . . . 0.0 111.544 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.487 ' HA ' ' HA ' ' A' ' 32' ' ' TYR . 82.4 p -107.16 170.87 7.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.613 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 9' ' ' LEU . 19.5 p -120.78 -11.36 9.01 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.819 -179.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 8' ' ' CYS . 4.9 tp 25.85 84.72 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 133.19 -11.6 5.03 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.654 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.79 15.25 8.9 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.61 0.243 . . . . 0.0 111.432 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.35 -28.92 14.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.776 0.322 . . . . 0.0 111.007 179.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.5 t -102.81 89.47 1.86 Allowed Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.525 -179.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -67.94 157.19 62.89 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.362 2.041 . . . . 0.0 112.386 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.5 t -65.7 142.11 58.13 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.37 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 55.0 m -71.92 -8.33 53.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.424 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.402 ' HB3' ' CB ' ' A' ' 20' ' ' ALA . 13.4 t70 -88.13 137.23 31.3 Favored Pre-proline 0 C--O 1.234 0.287 0 CA-C-O 120.968 0.414 . . . . 0.0 111.937 -178.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -55.88 135.42 69.55 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.593 2.195 . . . . 0.0 111.66 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.2 t 64.37 12.81 7.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.123 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.402 ' CB ' ' HB3' ' A' ' 17' ' ' ASP . . . -104.12 105.42 15.58 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 120.967 0.413 . . . . 0.0 110.86 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 t -107.72 157.47 18.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.621 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.4 t -73.41 104.95 4.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.018 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -96.3 141.05 30.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.758 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 12.6 m -106.86 136.26 47.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.66 -11.05 60.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.222 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.5 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.75 -155.77 0.64 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.801 179.667 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.5 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.44 -66.04 0.51 Allowed 'General case' 0 N--CA 1.445 -0.695 0 CA-C-O 120.86 0.362 . . . . 0.0 110.484 179.536 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 -156.01 83.54 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.703 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -150.56 -76.69 0.14 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.644 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.4 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -84.47 69.09 10.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.969 0.414 . . . . 0.0 111.134 -179.576 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 38.0 m -97.66 108.98 21.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.487 ' HA ' ' HA ' ' A' ' 7' ' ' SER . 4.5 p90 -137.95 177.38 7.92 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.418 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.512 ' HB3' ' O ' ' A' ' 4' ' ' LEU . 53.8 t -51.23 128.14 21.32 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.603 -179.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -141.44 132.18 25.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.41 179.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -83.6 35.87 0.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 54.89 107.4 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 121.172 0.51 . . . . 0.0 111.398 179.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.25 55.58 1.92 Allowed Glycine 0 N--CA 1.452 -0.275 0 CA-C-N 115.641 -0.708 . . . . 0.0 112.59 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.43 77.77 5.06 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.89 0.376 . . . . 0.0 110.624 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.17 -16.73 47.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.551 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.0 mmt -84.43 -45.98 12.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.867 0.365 . . . . 0.0 110.901 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -150.12 74.59 9.12 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.96 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -84.2 163.0 13.32 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.77 2.314 . . . . 0.0 112.544 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 46.8 m -82.03 -117.44 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.05 0 CA-C-O 121.188 0.518 . . . . 0.0 110.77 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.316 -0.884 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.067 -179.854 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.406 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.431 0 CA-C-O 120.657 0.265 . . . . 0.0 110.892 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 16.6 t -94.16 160.33 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.909 0.385 . . . . 0.0 110.989 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 25.3 mtt180 -79.51 -166.93 1.06 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.259 -179.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 tp -69.93 -24.08 63.31 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.374 -179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.446 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 0.0 OUTLIER -156.29 70.9 0.69 Allowed 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.001 0.429 . . . . 0.0 111.008 179.811 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -139.13 157.62 45.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.671 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 87.8 p -75.3 153.22 38.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.204 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.464 ' O ' ' C ' ' A' ' 9' ' ' LEU . 31.2 p -118.94 0.73 11.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.379 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.464 ' C ' ' O ' ' A' ' 8' ' ' CYS . 1.3 pt? 15.57 106.77 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.53 -17.03 34.02 Favored Glycine 0 CA--C 1.519 0.318 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.689 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 67.91 6.98 5.45 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.04 17.47 10.75 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.634 0.254 . . . . 0.0 110.874 179.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.4 t -141.6 87.96 9.96 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.065 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -67.9 158.84 55.55 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.469 2.113 . . . . 0.0 112.132 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.0 t -64.16 135.17 56.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.296 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.406 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -71.83 -6.43 41.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.312 179.304 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.03 143.33 37.24 Favored Pre-proline 0 CA--C 1.531 0.231 0 CA-C-O 120.843 0.354 . . . . 0.0 111.291 -179.565 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -54.75 133.33 56.75 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.509 2.14 . . . . 0.0 112.016 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 59.12 16.1 4.56 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.644 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -101.72 133.24 46.75 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 120.879 0.371 . . . . 0.0 110.947 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.0 t -134.79 141.45 46.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.978 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 45.6 t -73.18 118.11 15.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.045 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.449 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -115.1 155.74 26.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.927 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.4 m -108.89 132.5 53.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.942 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.05 -12.39 60.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.187 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.488 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -146.08 -156.86 0.75 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.888 179.684 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.488 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.61 -66.88 0.37 Allowed 'General case' 0 N--CA 1.446 -0.663 0 CA-C-O 120.857 0.36 . . . . 0.0 110.528 179.576 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -155.09 79.97 1.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.705 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.1 -70.76 0.16 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.487 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -84.51 64.54 8.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.958 0.409 . . . . 0.0 110.961 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 59.8 m -98.42 104.18 16.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.462 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 1.3 p90 -138.3 167.95 20.77 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.967 0.413 . . . . 0.0 111.269 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.5 t -56.15 139.73 46.45 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.492 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.449 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 70.3 ttt180 -139.3 114.54 9.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.293 179.122 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.46 35.58 0.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.64 -179.452 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 56.88 108.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.198 0.523 . . . . 0.0 111.321 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -72.49 54.74 1.6 Allowed Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.66 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.69 76.23 6.49 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.898 0.38 . . . . 0.0 110.561 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.46 -16.96 52.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.613 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 7.0 ttm -84.36 -41.55 16.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.846 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 62.9 m-20 -150.17 72.5 9.33 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -78.83 169.89 18.85 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.715 2.276 . . . . 0.0 112.245 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 36.9 m -82.59 -119.06 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.088 0 CA-C-O 121.266 0.555 . . . . 0.0 110.687 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.317 -0.835 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.979 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.423 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.489 0 CA-C-O 120.722 0.296 . . . . 0.0 110.96 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.8 t -94.34 161.56 2.56 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.281 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.94 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.2 mtt180 -79.47 -166.78 1.03 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.029 -179.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 tp -69.05 -27.95 66.1 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.225 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -155.64 72.53 0.8 Allowed 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 121.056 0.455 . . . . 0.0 111.042 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -139.29 163.86 31.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.705 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.3 p -80.09 149.31 30.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.772 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.482 ' O ' ' C ' ' A' ' 9' ' ' LEU . 7.4 p -109.35 -24.02 11.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.268 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.482 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.3 OUTLIER 22.54 82.09 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.983 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 164.47 -25.03 0.18 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.742 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 77.34 -38.42 0.29 Allowed 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.22 34.76 0.8 Allowed 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 120.685 0.278 . . . . 0.0 111.346 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.9 t -141.35 82.3 14.61 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.003 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -72.64 162.02 42.42 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.5 2.134 . . . . 0.0 112.328 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.5 t -64.25 137.19 57.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.347 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.423 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.72 -5.46 37.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.542 179.37 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -90.55 143.42 29.13 Favored Pre-proline 0 C--O 1.233 0.201 0 CA-C-O 121.006 0.431 . . . . 0.0 111.757 -179.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -56.41 132.45 51.93 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.612 2.208 . . . . 0.0 111.81 179.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.1 t 62.51 16.32 8.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.066 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -105.69 130.68 53.66 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-O 120.786 0.326 . . . . 0.0 110.946 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.9 t -136.82 144.17 43.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.6 t -72.12 128.67 36.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.026 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.444 ' CD1' ' HG3' ' A' ' 34' ' ' ARG . 0.5 OUTLIER -128.7 146.65 50.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.77 179.783 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 7.5 m -100.11 140.37 34.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.0 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 -72.34 -10.56 59.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.322 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.491 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.31 -155.02 0.57 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.816 179.647 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.491 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.05 -65.91 0.52 Allowed 'General case' 0 N--CA 1.445 -0.725 0 CA-C-O 120.903 0.382 . . . . 0.0 110.577 179.622 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -156.8 84.29 0.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.706 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -149.9 -82.57 0.1 Allowed 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -84.98 80.4 9.3 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.884 0.373 . . . . 0.0 111.291 -179.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 9.9 m -102.49 114.66 29.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.065 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.478 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.5 OUTLIER -136.2 163.81 29.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.084 179.895 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.6 t -54.74 141.19 33.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.566 -179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.444 ' HG3' ' CD1' ' A' ' 23' ' ' TYR . 1.8 tmm_? -139.14 123.52 18.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.304 179.268 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.95 25.37 0.95 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.828 -179.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 56.88 108.29 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 121.15 0.5 . . . . 0.0 111.312 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.68 55.66 3.4 Favored Glycine 0 N--CA 1.452 -0.296 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.583 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.9 p -91.0 75.94 6.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.973 0.416 . . . . 0.0 110.645 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.59 -17.31 54.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.482 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 6.3 ttm -84.76 -38.89 19.09 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.929 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -150.56 71.71 9.0 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.077 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.74 155.82 39.63 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.596 2.198 . . . . 0.0 112.414 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 42.1 m -82.45 -117.98 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.082 0 CA-C-O 121.267 0.556 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.317 -0.841 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.036 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.439 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.463 0 CA-C-O 120.777 0.322 . . . . 0.0 110.898 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.8 t -94.14 164.47 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.787 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 17.8 mtt180 -78.71 -165.22 0.69 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.055 -179.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.0 tp -68.57 -40.95 80.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.032 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -155.63 65.82 0.61 Allowed 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -138.86 169.44 17.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.645 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 67.9 m -61.43 144.82 53.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.773 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.446 ' O ' ' C ' ' A' ' 9' ' ' LEU . 23.9 p -108.82 -23.67 11.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.162 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.446 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.3 OUTLIER 23.42 94.49 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 116.036 -0.529 . . . . 0.0 112.321 179.902 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 163.24 -23.69 0.19 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.775 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 74.03 -54.41 0.68 Allowed 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.598 0.199 . . . . 0.0 111.521 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.59 11.6 14.59 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.594 0.22 . . . . 0.0 111.594 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.3 t -104.93 86.39 1.49 Allowed Pre-proline 0 C--N 1.332 -0.183 0 CA-C-O 120.715 0.293 . . . . 0.0 111.052 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -69.42 161.22 46.74 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.469 2.112 . . . . 0.0 112.198 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.7 t -63.64 140.14 58.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.198 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.439 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -71.87 -5.99 38.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.536 179.772 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.67 138.26 21.81 Favored Pre-proline 0 C--O 1.234 0.25 0 CA-C-O 120.915 0.388 . . . . 0.0 111.554 -179.429 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -54.62 135.17 65.82 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.517 2.145 . . . . 0.0 111.864 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 37.0 t 64.15 13.53 7.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.222 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -106.12 133.88 50.13 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-O 120.726 0.298 . . . . 0.0 110.908 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.8 t -136.4 147.0 47.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 46.1 t -70.6 116.79 11.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.95 0.405 . . . . 0.0 111.206 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -108.76 145.71 34.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.572 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 63.4 m -108.9 126.81 53.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.79 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.402 ' HB3' ' NH1' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -72.71 -12.64 61.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.854 0.359 . . . . 0.0 111.514 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.486 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -146.21 -158.53 0.91 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.926 179.656 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.486 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.85 -65.93 0.53 Allowed 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 120.981 0.419 . . . . 0.0 110.549 179.598 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -155.1 78.42 1.03 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.728 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.06 -69.57 0.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.435 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -84.53 62.45 7.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.933 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 83.2 m -98.56 101.22 12.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.831 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -136.46 164.33 28.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.828 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 10.5 t -53.69 145.06 16.31 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.023 0.439 . . . . 0.0 111.251 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.1 ttt85 -139.26 119.64 13.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.343 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.2 mtpp -84.49 12.36 7.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.699 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 61.03 111.44 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 121.134 0.492 . . . . 0.0 111.18 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.29 54.07 3.55 Favored Glycine 0 N--CA 1.451 -0.325 0 CA-C-N 115.44 -0.8 . . . . 0.0 112.762 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 58.5 p -90.76 77.08 6.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.823 0.344 . . . . 0.0 110.569 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.15 -16.34 43.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.626 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.7 ttm -84.08 -36.8 22.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.785 0.326 . . . . 0.0 110.708 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -150.16 67.74 8.45 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.806 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.68 147.37 27.8 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.631 2.221 . . . . 0.0 112.421 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 39.6 m -82.07 -117.22 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.117 0 CA-C-O 121.188 0.518 . . . . 0.0 110.751 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.2 m . . . . . 0 C--N 1.314 -0.936 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.028 -179.83 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.435 0 CA-C-O 120.755 0.312 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.3 t -93.46 162.76 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.908 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.5 mtt85 -78.66 -164.72 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.201 -179.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 tp -68.55 -29.04 67.51 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.339 -179.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -156.66 75.72 0.86 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.215 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -139.47 162.01 36.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.629 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.1 m -76.47 145.51 39.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.989 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.469 ' O ' ' C ' ' A' ' 9' ' ' LEU . 25.4 p -112.35 4.35 17.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.499 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.469 ' C ' ' O ' ' A' ' 8' ' ' CYS . 1.2 pt? 15.01 104.36 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.585 0.754 . . . . 0.0 112.994 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.67 -18.11 22.64 Favored Glycine 0 CA--C 1.518 0.26 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.65 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 65.94 11.98 8.08 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.624 0.25 . . . . 0.0 111.418 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.65 -20.41 20.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.705 0.288 . . . . 0.0 110.871 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.8 t -101.34 90.68 1.78 Allowed Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.26 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -67.95 158.59 56.69 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.338 2.025 . . . . 0.0 112.05 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.401 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 18.0 t -65.13 134.97 54.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.262 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.99 -1.4 16.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.806 179.555 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -96.53 140.73 22.33 Favored Pre-proline 0 C--O 1.234 0.267 0 CA-C-O 120.967 0.413 . . . . 0.0 111.803 -179.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -55.74 135.13 67.99 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.643 2.229 . . . . 0.0 111.631 179.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.8 t 63.42 14.23 7.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.811 -179.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.401 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -104.05 125.49 50.43 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-O 120.886 0.374 . . . . 0.0 110.961 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.1 t -131.72 148.7 52.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.728 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.1 t -71.4 116.43 11.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.156 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -116.11 147.1 41.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.447 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 19.3 m -106.54 133.56 51.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.956 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -10.32 59.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.359 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.489 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.37 -156.55 0.71 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.907 179.601 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.489 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.4 -67.64 0.28 Allowed 'General case' 0 N--CA 1.445 -0.686 0 CA-C-O 120.847 0.356 . . . . 0.0 110.355 179.487 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -155.0 81.23 1.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.716 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.31 -73.2 0.16 Allowed 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -83.91 67.24 9.52 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.886 0.374 . . . . 0.0 111.054 -179.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 56.1 m -97.75 105.03 17.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -135.28 171.83 13.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.156 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.0 t -58.77 139.25 56.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.165 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.37 119.17 11.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.362 179.371 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.35 23.69 1.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.743 -179.664 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 58.73 109.8 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.157 0.503 . . . . 0.0 111.265 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -80.99 54.86 4.76 Favored Glycine 0 N--CA 1.451 -0.308 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.701 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 31.8 p -92.53 78.24 4.96 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-O 120.964 0.412 . . . . 0.0 110.43 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.56 -14.91 22.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.794 -179.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 18.5 ttm -83.1 -39.12 21.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.833 0.349 . . . . 0.0 110.87 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.5 m-20 -151.85 70.28 7.89 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.203 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -73.42 160.27 44.97 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.546 2.164 . . . . 0.0 112.13 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 48.4 m -81.76 -116.81 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.087 0 CA-C-O 121.181 0.515 . . . . 0.0 110.833 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.4 t . . . . . 0 C--N 1.315 -0.892 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.045 -179.768 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.417 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.445 0 CA-C-O 120.705 0.288 . . . . 0.0 110.994 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.0 t -93.55 163.4 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.741 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 -78.54 -165.04 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 -179.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.1 tp -68.5 -34.94 76.79 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.173 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.86 75.33 0.96 Allowed 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.051 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -138.75 165.12 27.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.579 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 52.4 p -75.96 145.21 40.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.98 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 9' ' ' LEU . 31.4 p -108.04 -23.85 11.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.013 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 8' ' ' CYS . 1.4 pp 23.53 94.73 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.12 0.568 . . . . 0.0 112.517 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 146.1 -27.47 1.72 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.466 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 76.48 -23.24 0.25 Allowed 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.401 ' NE2' HG21 ' A' ' 13' ' ' VAL . 0.9 OUTLIER -94.6 32.25 1.63 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.735 0.303 . . . . 0.0 111.049 179.609 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.401 HG21 ' NE2' ' A' ' 12' ' ' GLN . 24.8 t -140.53 83.23 15.19 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.977 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -70.85 158.23 56.1 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.452 2.101 . . . . 0.0 112.291 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.7 t -65.29 137.47 57.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.322 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.417 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.31 -6.29 42.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.36 179.422 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -91.72 141.33 25.55 Favored Pre-proline 0 C--O 1.234 0.24 0 CA-C-O 120.831 0.348 . . . . 0.0 111.696 -179.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -56.48 133.43 57.99 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.608 2.206 . . . . 0.0 111.729 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 45.2 t 63.65 14.33 8.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -105.3 132.03 52.0 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-O 120.753 0.311 . . . . 0.0 110.83 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.9 t -139.98 149.9 43.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.984 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 18.9 t -72.09 133.63 45.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.869 0.366 . . . . 0.0 111.029 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.405 ' CE2' ' O ' ' A' ' 24' ' ' CYS . 50.8 t80 -139.2 147.77 42.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.566 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 12.9 m -100.67 135.52 41.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.87 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.3 -10.69 60.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.249 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.5 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.87 -154.83 0.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.918 179.524 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.5 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.98 -67.56 0.28 Allowed 'General case' 0 N--CA 1.445 -0.702 0 CA-C-O 120.901 0.382 . . . . 0.0 110.477 179.559 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -155.4 82.79 1.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.699 179.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.65 -75.84 0.14 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.76 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.417 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 1.8 m-85 -84.1 70.03 10.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.147 -179.375 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 28.9 m -97.65 103.52 15.46 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.966 179.749 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 26.7 p90 -136.28 165.75 25.04 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.121 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.5 t -55.0 146.64 17.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.093 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.4 ptt85 -137.35 129.27 28.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.375 179.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.0 mtpp -84.37 10.46 10.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.633 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.89 110.26 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 121.235 0.54 . . . . 0.0 111.271 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -86.98 54.7 4.59 Favored Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.506 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -89.42 74.74 7.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.842 0.353 . . . . 0.0 110.782 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.23 -18.33 60.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.367 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.3 tpp -84.96 -40.61 16.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.899 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -149.99 71.84 9.46 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.934 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -82.02 164.62 17.59 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.621 2.214 . . . . 0.0 112.28 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 44.7 m -82.15 -117.74 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.068 0 CA-C-O 121.207 0.527 . . . . 0.0 110.731 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--N 1.316 -0.852 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.06 -179.873 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.504 0 CA-C-O 120.67 0.272 . . . . 0.0 110.834 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.9 t -94.16 162.69 2.37 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.292 0 CA-C-O 120.877 0.37 . . . . 0.0 111.046 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -78.04 -163.14 0.39 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.989 -179.388 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.1 tp -66.88 -31.9 72.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.153 -179.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -155.23 81.26 1.06 Allowed 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.219 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -139.13 171.55 14.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.505 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 98.4 p -88.63 149.13 23.69 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.909 0.385 . . . . 0.0 111.205 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 9' ' ' LEU . 26.7 p -119.24 -2.84 10.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.293 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER 24.58 97.26 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.486 ' O ' ' CG ' ' A' ' 11' ' ' GLN . . . 111.86 -5.95 27.52 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.973 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.486 ' CG ' ' O ' ' A' ' 10' ' ' GLY . 3.4 pt20 57.51 18.99 4.91 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.312 0.245 . . . . 0.0 111.461 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' A' ' 10' ' ' GLY . 0.0 OUTLIER -89.74 -24.84 21.43 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 120.943 0.401 . . . . 0.0 110.643 179.526 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.9 t -101.75 92.36 2.84 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.425 -179.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -68.8 158.38 58.06 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.343 2.029 . . . . 0.0 112.18 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.5 t -65.19 133.03 50.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.416 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.92 -3.89 28.66 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.319 179.296 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.08 141.39 26.39 Favored Pre-proline 0 C--O 1.233 0.231 0 CA-C-O 120.913 0.387 . . . . 0.0 111.615 -179.315 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -55.83 134.26 62.99 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.616 2.21 . . . . 0.0 111.826 179.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.1 t 63.29 14.49 7.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -107.18 130.12 54.76 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-O 120.789 0.328 . . . . 0.0 110.944 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.8 t -136.3 142.71 43.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.798 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.4 t -74.05 125.27 27.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.071 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.461 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 0.3 OUTLIER -131.11 153.29 49.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.705 179.509 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 6.4 m -99.1 138.68 35.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.139 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.1 -9.15 58.42 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.361 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.533 ' CD2' ' CZ ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -142.99 -157.43 0.77 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.738 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.533 ' CZ ' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.98 -66.56 0.41 Allowed 'General case' 0 N--CA 1.446 -0.674 0 CA-C-O 120.872 0.368 . . . . 0.0 110.378 179.644 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -156.3 83.15 0.99 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.749 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.01 -80.26 0.11 Allowed 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.494 ' CD1' ' CE2' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -84.12 79.44 9.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.855 0.36 . . . . 0.0 111.232 -179.483 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 7.7 m -102.59 114.39 28.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.062 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.494 ' CE2' ' CD1' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -138.35 166.21 24.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.258 179.852 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.6 t -56.42 141.49 42.01 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.269 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.461 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -138.09 125.57 21.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.268 179.379 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.69 30.73 0.63 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.683 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 54.78 106.24 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 121.07 0.462 . . . . 0.0 111.546 179.577 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.86 57.37 3.08 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.514 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.1 75.89 7.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.913 0.387 . . . . 0.0 110.64 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.46 -17.13 53.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.483 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 48.6 ttm -84.3 -47.4 10.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.832 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 -150.31 78.26 7.88 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.141 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_endo -78.22 165.6 25.57 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.674 2.249 . . . . 0.0 112.242 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 44.8 m -82.24 -117.98 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.095 0 CA-C-O 121.184 0.516 . . . . 0.0 110.844 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--N 1.316 -0.858 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.076 -179.809 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.51 0 CA-C-O 120.77 0.319 . . . . 0.0 110.788 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 15.4 t -93.27 161.11 2.6 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.22 0 CA-C-O 120.931 0.396 . . . . 0.0 110.69 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 46.6 mtt180 -78.73 -165.16 0.68 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.119 -179.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.6 tp -68.9 -29.43 67.7 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.241 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 -154.75 72.46 0.85 Allowed 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.17 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -137.88 164.47 28.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.524 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 36.0 t -84.13 142.39 30.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.887 0.375 . . . . 0.0 111.227 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 9' ' ' LEU . 16.4 p -110.27 -24.54 10.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.188 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.6 OUTLIER 26.24 94.2 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.189 0.595 . . . . 0.0 112.366 -179.82 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.19 -27.91 0.89 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.464 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 74.81 -11.87 1.0 Allowed 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.47 -15.94 25.03 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.644 0.259 . . . . 0.0 111.077 179.614 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.1 t -104.66 85.37 1.15 Allowed Pre-proline 0 C--N 1.332 -0.186 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.411 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -72.18 164.01 36.95 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.482 2.122 . . . . 0.0 112.151 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.9 t -64.28 137.03 57.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.955 0.407 . . . . 0.0 111.106 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.17 -5.55 36.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.459 179.684 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -87.61 142.12 32.59 Favored Pre-proline 0 C--O 1.233 0.216 0 CA-C-O 120.865 0.364 . . . . 0.0 111.529 -179.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -56.23 133.34 57.45 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.465 2.11 . . . . 0.0 111.613 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.5 t 63.02 15.85 8.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -106.75 128.82 54.55 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.871 0.367 . . . . 0.0 111.166 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.6 t -133.57 156.49 47.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.335 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.84 138.72 50.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.968 0.413 . . . . 0.0 111.166 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -138.79 138.41 37.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.325 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 16.0 m -100.16 134.74 42.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.173 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.57 -10.05 59.32 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.266 179.694 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -144.58 -156.18 0.67 Allowed 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.636 179.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -67.99 0.24 Allowed 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 120.979 0.418 . . . . 0.0 110.327 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -156.21 81.69 0.99 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.791 179.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.63 -72.78 0.14 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.77 0.319 . . . . 0.0 111.773 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -83.88 69.74 10.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.906 0.384 . . . . 0.0 111.064 -179.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 19.3 m -99.42 110.46 22.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -135.4 175.16 9.84 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 12.6 t -57.13 139.36 52.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.134 0.492 . . . . 0.0 111.453 -179.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.18 112.3 8.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.605 179.265 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.94 30.09 0.53 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -179.11 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 55.97 108.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.316 0.579 . . . . 0.0 111.462 179.616 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.7 47.61 3.83 Favored Glycine 0 N--CA 1.452 -0.25 0 CA-C-N 115.452 -0.795 . . . . 0.0 112.481 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 37.7 p -91.63 77.88 5.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.352 . . . . 0.0 110.537 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.38 -17.59 44.76 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.417 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 13.8 ttm -84.29 -33.87 23.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.813 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -150.02 63.82 6.48 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.849 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -83.55 158.14 14.41 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.788 2.325 . . . . 0.0 112.39 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 48.7 m -82.29 -118.08 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.047 0 CA-C-O 121.269 0.557 . . . . 0.0 110.703 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 p . . . . . 0 C--N 1.317 -0.825 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.105 -179.884 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.799 0.333 . . . . 0.0 110.791 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.8 t -93.67 162.24 2.44 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.27 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.84 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -78.42 -168.38 1.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.042 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.5 tp -67.83 -26.03 65.86 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.218 -179.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.422 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 0.0 OUTLIER -156.64 74.63 0.82 Allowed 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.017 179.667 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -138.29 165.33 26.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.743 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.8 m -80.14 147.96 31.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.059 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.44 ' O ' ' C ' ' A' ' 9' ' ' LEU . 18.9 p -108.92 -11.36 15.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.366 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 8' ' ' CYS . 2.6 tt 24.56 94.59 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.13 0.572 . . . . 0.0 112.447 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.98 -20.79 7.12 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.553 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 68.14 7.23 5.73 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 111.697 0.258 . . . . 0.0 111.697 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.32 -17.56 22.48 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.613 0.244 . . . . 0.0 110.897 179.585 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.1 t -101.92 89.22 1.48 Allowed Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.491 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -68.49 159.0 55.32 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.303 2.002 . . . . 0.0 112.227 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.6 t -64.73 134.98 55.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.295 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.14 -6.33 41.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.24 179.243 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -85.05 143.35 39.68 Favored Pre-proline 0 C--O 1.233 0.237 0 CA-C-O 120.849 0.357 . . . . 0.0 111.391 -179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -55.09 133.05 55.94 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.612 2.208 . . . . 0.0 111.869 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 57.58 17.35 3.91 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.404 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -102.37 132.58 48.27 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.803 0.335 . . . . 0.0 110.95 179.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.3 t -136.15 146.84 47.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.788 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 16.2 t -73.82 137.76 44.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.015 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.457 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -140.87 153.79 45.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.686 179.704 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 13.2 m -102.86 137.16 41.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.088 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.49 -11.42 60.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.175 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.493 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.63 -154.73 0.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.762 179.695 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.493 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.82 -67.42 0.29 Allowed 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 120.848 0.356 . . . . 0.0 110.502 179.64 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -155.95 82.95 1.01 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.754 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.78 -74.99 0.14 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.728 0.299 . . . . 0.0 111.705 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.404 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 3.3 m-85 -84.58 70.64 10.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.091 -179.601 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 24.3 m -99.08 104.53 16.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.422 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -137.89 169.07 18.42 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.003 0.43 . . . . 0.0 111.223 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.5 t -52.98 144.1 15.7 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.873 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.457 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 0.4 OUTLIER -137.78 114.39 10.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.831 179.19 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -83.93 14.31 4.19 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.811 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 mp 61.47 111.2 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 121.162 0.506 . . . . 0.0 111.199 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.1 54.49 4.73 Favored Glycine 0 N--CA 1.45 -0.379 0 CA-C-N 115.391 -0.822 . . . . 0.0 112.652 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 35.4 p -89.54 74.93 7.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.862 0.363 . . . . 0.0 110.493 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.64 -18.47 59.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.406 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -84.7 -32.89 23.3 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.672 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -150.81 67.06 7.72 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.015 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.99 167.57 27.01 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.398 2.066 . . . . 0.0 112.097 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 36.2 m -82.87 -120.35 0.02 OUTLIER 'General case' 0 N--CA 1.434 -1.242 0 CA-C-O 121.281 0.562 . . . . 0.0 110.822 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.315 -0.895 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.124 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.409 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.465 0 CA-C-O 120.784 0.326 . . . . 0.0 110.798 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.409 ' CG1' ' HB3' ' A' ' 6' ' ' GLU . 8.4 t -94.23 161.64 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.753 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.9 mmt85 -79.26 -167.25 1.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.098 -179.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 tp -69.81 -23.14 63.28 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.628 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.451 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 0.0 OUTLIER -156.06 41.31 0.38 Allowed 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 120.886 0.374 . . . . 0.0 111.397 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.409 ' HB3' ' CG1' ' A' ' 2' ' ' VAL . 4.5 tm-20 -105.37 160.82 14.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.517 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.6 m -81.87 149.18 28.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.94 0.4 . . . . 0.0 111.31 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' A' ' 9' ' ' LEU . 23.4 p -111.69 -15.2 13.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.244 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.3 OUTLIER 26.36 95.03 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.67 -20.35 4.89 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.603 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 67.4 8.4 6.25 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.598 0.237 . . . . 0.0 111.562 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.61 -22.62 17.48 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.777 0.322 . . . . 0.0 110.749 179.496 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.2 t -101.83 94.59 4.57 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.351 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -74.17 162.24 39.12 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.352 2.035 . . . . 0.0 112.234 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.9 t -65.28 136.57 56.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.134 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.409 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.84 -3.11 23.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.666 179.633 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.74 144.32 29.24 Favored Pre-proline 0 C--O 1.234 0.242 0 CA-C-O 120.932 0.396 . . . . 0.0 111.514 -179.396 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -56.31 132.0 49.21 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.61 2.206 . . . . 0.0 111.883 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.8 t 62.81 15.9 8.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.046 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -104.34 128.08 52.09 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.855 0.36 . . . . 0.0 110.972 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.5 t -132.35 153.3 50.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.724 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.4 t -71.35 115.95 11.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.939 0.399 . . . . 0.0 111.305 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -108.93 141.11 41.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.484 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 35.4 m -107.34 132.74 52.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.78 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.68 -11.9 60.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.292 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.498 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -146.14 -157.1 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.966 179.637 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.498 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.59 -65.82 0.55 Allowed 'General case' 0 N--CA 1.446 -0.661 0 CA-C-O 120.949 0.404 . . . . 0.0 110.359 179.608 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -155.45 82.12 1.04 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.722 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.75 -75.17 0.14 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.731 0.3 . . . . 0.0 111.614 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -84.24 68.64 10.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.924 0.393 . . . . 0.0 111.107 -179.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 59.0 m -99.34 107.52 19.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -135.49 170.46 15.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.04 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.7 t -56.83 139.43 51.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.079 0.466 . . . . 0.0 111.23 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -140.07 116.87 10.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.211 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.6 21.74 1.45 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.877 -179.55 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 59.57 110.14 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 121.199 0.523 . . . . 0.0 111.16 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.91 54.99 3.86 Favored Glycine 0 N--CA 1.452 -0.253 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.663 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.38 75.21 6.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.92 0.391 . . . . 0.0 110.71 179.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.06 -17.78 58.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.471 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.9 -41.24 16.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.943 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -149.83 72.96 9.62 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.963 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -78.29 160.47 29.31 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.643 2.228 . . . . 0.0 112.393 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 40.7 m -82.13 -117.48 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.066 0 CA-C-O 121.207 0.527 . . . . 0.0 110.98 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.6 m . . . . . 0 C--N 1.316 -0.849 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.103 -179.84 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.868 0.366 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.404 ' CG2' ' HB3' ' A' ' 8' ' ' CYS . 17.0 t -96.13 162.22 2.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.294 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.8 mmt85 -76.34 -165.79 0.54 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.826 -179.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.5 tp -66.83 -32.48 73.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.488 -179.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -155.29 72.85 0.83 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.105 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -138.74 161.74 36.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.603 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 97.2 p -75.42 142.32 43.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.848 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.456 ' O ' ' C ' ' A' ' 9' ' ' LEU . 15.6 p -110.29 -25.81 9.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.211 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.8 OUTLIER 25.13 90.98 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.053 -0.521 . . . . 0.0 112.143 -179.848 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.92 -26.26 0.25 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.548 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.418 ' HG2' ' N ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER 77.12 -37.16 0.26 Allowed 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 111.83 0.308 . . . . 0.0 111.83 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.418 ' N ' ' HG2' ' A' ' 11' ' ' GLN . 0.2 OUTLIER -92.57 36.84 1.0 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.8 0.333 . . . . 0.0 111.25 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.7 t -140.93 85.22 12.55 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.013 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -69.59 156.74 62.99 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.492 2.128 . . . . 0.0 112.796 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.4 t -64.26 152.93 39.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.185 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.7 m -73.89 1.88 9.73 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.0 -0.546 . . . . 0.0 112.342 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -111.44 140.66 23.28 Favored Pre-proline 0 C--O 1.234 0.285 0 CA-C-O 121.145 0.498 . . . . 0.0 111.977 -179.006 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -55.36 137.05 76.31 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.616 2.21 . . . . 0.0 111.541 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.9 t 64.88 11.64 7.13 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 -179.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -103.17 114.94 29.63 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.924 0.392 . . . . 0.0 110.887 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.3 t -115.8 155.56 27.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.0 t -72.36 100.51 2.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.009 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -86.89 131.98 33.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.805 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 56.2 m -99.81 128.73 45.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.24 -9.88 59.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.343 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.489 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -144.6 -156.56 0.71 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.818 179.737 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.489 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.03 -70.11 0.12 Allowed 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 120.935 0.397 . . . . 0.0 110.4 179.503 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -154.93 76.42 1.0 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.67 179.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.46 -66.32 0.16 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.639 -179.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -83.82 65.75 8.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.958 0.409 . . . . 0.0 111.122 -179.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 27.8 m -101.56 116.75 33.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.076 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -137.04 167.77 20.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.851 179.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.5 t -55.71 131.58 46.97 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.924 0.392 . . . . 0.0 110.993 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.56 124.47 17.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.418 179.543 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.88 31.45 0.54 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.719 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 57.95 109.24 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 121.162 0.506 . . . . 0.0 111.304 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.11 55.07 2.71 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.552 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.66 77.05 5.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.872 0.367 . . . . 0.0 110.609 179.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.21 -16.72 47.94 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.514 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 14.0 ttm -84.25 -45.63 12.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.881 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -150.1 75.37 8.97 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.066 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -80.69 162.4 21.53 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.733 2.289 . . . . 0.0 112.443 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 50.7 m -82.24 -117.84 0.02 OUTLIER 'General case' 0 N--CA 1.436 -1.139 0 CA-C-O 121.228 0.537 . . . . 0.0 110.849 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.7 m . . . . . 0 C--N 1.315 -0.909 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.187 -179.847 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.414 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.485 0 CA-C-O 120.679 0.276 . . . . 0.0 110.824 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.4 t -93.49 161.15 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.778 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -79.61 -167.52 1.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.124 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.8 tp -69.13 -26.97 65.16 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.142 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -156.1 71.7 0.74 Allowed 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 179.68 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -138.78 162.31 35.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.677 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 62.5 p -78.12 144.77 36.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.895 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 9' ' ' LEU . 29.3 p -110.64 -20.59 12.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.277 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.4 OUTLIER 25.26 95.2 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 143.94 -28.26 2.0 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.463 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.13 -7.18 1.56 Allowed 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.22 -12.89 25.51 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-O 120.67 0.272 . . . . 0.0 110.959 179.504 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.4 t -103.35 87.16 1.27 Allowed Pre-proline 0 C--O 1.233 0.191 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.373 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.29 161.75 44.87 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.446 2.097 . . . . 0.0 112.238 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.9 t -64.67 135.07 55.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.963 0.411 . . . . 0.0 111.285 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.414 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.85 -4.72 33.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.403 179.393 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.27 138.95 22.89 Favored Pre-proline 0 C--O 1.234 0.252 0 CA-C-O 120.95 0.405 . . . . 0.0 111.69 -179.299 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -55.01 136.26 72.2 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.559 2.173 . . . . 0.0 111.728 179.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.5 t 64.19 12.67 7.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 -179.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -108.74 132.31 54.09 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-O 120.845 0.355 . . . . 0.0 111.133 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.6 t -138.33 144.13 40.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.445 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.4 t -71.67 147.12 47.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.963 0.411 . . . . 0.0 111.109 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.463 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -156.5 153.76 29.27 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.716 179.717 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 33.5 m -99.55 125.55 45.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.214 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.64 -8.65 56.84 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.495 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.496 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -144.08 -155.49 0.61 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.926 179.823 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.496 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.59 -71.45 0.09 Allowed 'General case' 0 N--CA 1.445 -0.701 0 CA-C-O 120.955 0.407 . . . . 0.0 110.488 179.639 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.7 p-10 -155.5 74.06 0.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.698 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.99 -58.83 0.14 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.749 0.309 . . . . 0.0 111.696 -179.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.414 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 16.4 m-85 -84.52 57.84 4.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.003 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.463 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 25.1 m -96.66 99.38 10.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 16.3 p90 -138.77 175.97 9.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.426 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.3 t -59.88 143.95 50.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.426 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.451 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -138.84 118.97 13.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.973 179.375 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.42 31.85 0.51 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.917 -179.403 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 55.5 107.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.134 0.492 . . . . 0.0 111.465 179.585 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.45 56.76 3.74 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.503 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.52 75.74 6.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.89 0.376 . . . . 0.0 110.636 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.7 -16.99 53.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.443 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 5.9 ttm -84.37 -45.51 12.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.831 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -150.45 76.67 8.32 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.088 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -78.76 165.9 24.13 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.634 2.222 . . . . 0.0 112.391 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 50.3 m -82.19 -117.66 0.02 OUTLIER 'General case' 0 N--CA 1.439 -1.023 0 CA-C-O 121.153 0.501 . . . . 0.0 110.78 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.315 -0.904 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.128 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 2.4 p . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.886 0.374 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.459 HG23 ' CG1' ' A' ' 13' ' ' VAL . 0.9 OUTLIER -100.35 168.53 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.123 -179.91 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.65 -176.88 6.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.494 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.536 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 17.9 tp -72.55 -52.85 13.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.859 0.361 . . . . 0.0 111.134 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -92.99 21.33 5.84 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.247 -0.433 . . . . 0.0 112.039 -179.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -108.32 162.87 13.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.175 0.512 . . . . 0.0 111.889 -179.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.435 ' HA ' ' HA ' ' A' ' 32' ' ' TYR . 1.6 m -100.71 159.56 15.08 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.632 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.416 ' O ' ' C ' ' A' ' 9' ' ' LEU . 20.5 p -112.16 -23.0 10.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.46 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER 29.44 89.13 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.945 -179.69 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 141.02 -20.71 2.66 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.856 -0.687 . . . . 0.0 112.536 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 70.03 4.52 4.85 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.88 -19.32 17.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.721 0.296 . . . . 0.0 110.952 179.408 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.459 ' CG1' HG23 ' A' ' 2' ' ' VAL . 0.8 OUTLIER -102.92 94.56 5.46 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.299 -179.669 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -73.47 155.47 50.45 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.4 2.067 . . . . 0.0 112.838 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.9 t -66.97 144.55 56.14 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.588 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.8 m -72.88 -10.76 60.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.363 179.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -84.57 134.84 41.6 Favored Pre-proline 0 C--N 1.331 -0.211 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -178.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -56.51 135.24 69.23 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.522 2.148 . . . . 0.0 111.223 179.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 44.1 t 63.33 15.03 8.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.61 -179.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -104.82 110.22 22.49 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-O 120.867 0.365 . . . . 0.0 110.733 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 t -112.5 152.31 28.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.61 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.0 t -73.07 121.08 19.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.407 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 10.5 t80 -112.21 139.45 47.74 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.722 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 60.8 m -97.69 118.03 33.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.67 -6.95 49.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.704 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.496 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -143.54 -157.89 0.82 Allowed 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 179.702 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.496 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.2 -70.82 0.1 Allowed 'General case' 0 N--CA 1.445 -0.676 0 CA-C-O 120.958 0.409 . . . . 0.0 110.487 179.683 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -155.39 68.22 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.64 179.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -153.27 -50.57 0.1 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.585 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -85.39 53.7 2.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.821 0.343 . . . . 0.0 111.11 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 29.3 m -97.83 104.73 16.79 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.435 ' HA ' ' HA ' ' A' ' 7' ' ' SER . 4.2 p90 -136.5 174.5 10.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.519 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.536 ' HB3' ' O ' ' A' ' 4' ' ' LEU . 43.2 t -52.61 131.78 34.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.528 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -137.73 137.18 38.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.188 179.028 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -83.6 33.12 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -179.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 51.93 104.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.174 0.511 . . . . 0.0 111.696 179.349 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.63 58.18 2.97 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.447 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -89.31 74.89 7.81 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.896 0.379 . . . . 0.0 110.677 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.71 -17.68 56.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.397 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.4 mmt -84.63 -46.64 11.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.765 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -150.36 78.3 7.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.199 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -78.53 165.47 25.08 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.627 2.218 . . . . 0.0 111.956 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 47.4 m -82.56 -119.46 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.115 0 CA-C-O 121.336 0.589 . . . . 0.0 110.755 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.317 -0.807 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.035 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.407 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.504 0 CA-C-O 120.73 0.3 . . . . 0.0 110.916 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.8 t -92.96 165.8 1.86 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.266 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.545 179.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.08 -171.32 2.28 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.058 -179.217 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 27.3 tp -67.77 -35.46 78.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.843 0.354 . . . . 0.0 111.218 -179.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.07 66.74 0.72 Allowed 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.142 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -139.48 160.05 40.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.719 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.0 p -62.31 147.67 47.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.803 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.463 ' O ' ' C ' ' A' ' 9' ' ' LEU . 30.0 p -107.6 -25.73 11.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.212 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.463 ' C ' ' O ' ' A' ' 8' ' ' CYS . 8.0 tt 22.59 93.47 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.327 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.05 -24.1 0.28 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.649 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 75.32 -47.92 0.61 Allowed 'General case' 0 N--CA 1.464 0.263 0 O-C-N 122.804 -0.233 . . . . 0.0 111.503 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -90.35 36.83 0.89 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.857 0.361 . . . . 0.0 111.125 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.7 t -137.55 83.47 25.3 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.998 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -72.16 161.14 45.46 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.563 2.175 . . . . 0.0 112.457 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.4 t -64.42 138.25 58.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.304 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.407 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.83 -3.93 28.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.649 179.656 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.14 138.03 21.23 Favored Pre-proline 0 C--O 1.234 0.285 0 CA-C-O 120.917 0.389 . . . . 0.0 111.66 -179.245 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -55.1 136.18 72.03 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.602 2.201 . . . . 0.0 111.683 179.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 46.5 t 63.86 13.35 7.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.827 -179.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -106.85 132.34 52.92 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-O 120.856 0.36 . . . . 0.0 110.898 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.8 t -138.87 145.83 40.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.9 t -72.38 115.29 11.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.073 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.428 ' CD1' ' HG3' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -112.9 149.28 33.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.583 179.802 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 34.7 m -105.43 132.51 51.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.892 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.79 -11.67 60.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.308 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.52 ' CD2' ' CZ ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -145.14 -158.72 0.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 179.697 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.52 ' CZ ' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.6 -65.46 0.61 Allowed 'General case' 0 N--CA 1.444 -0.762 0 CA-C-O 120.837 0.351 . . . . 0.0 110.429 179.607 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -154.38 81.85 1.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.759 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.56 -74.98 0.13 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.698 0.285 . . . . 0.0 111.684 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -83.71 68.27 9.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.998 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 56.5 m -99.06 105.12 17.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.96 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -137.04 164.43 28.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.021 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.6 t -57.06 144.03 36.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.195 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.428 ' HG3' ' CD1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -138.77 130.11 27.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.317 179.622 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.81 20.31 1.84 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.826 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 58.44 109.07 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.109 0.481 . . . . 0.0 111.339 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -84.83 50.69 4.44 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.601 -0.727 . . . . 0.0 112.585 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 62.1 p -91.31 77.0 5.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 0.0 110.576 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.29 -17.37 53.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.488 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 6.7 mtp -84.34 -34.97 23.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.897 0.38 . . . . 0.0 110.774 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -150.3 65.84 7.47 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.95 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -79.97 157.58 23.86 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.751 2.3 . . . . 0.0 112.38 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 50.7 m -81.98 -117.69 0.02 OUTLIER 'General case' 0 N--CA 1.439 -0.996 0 CA-C-O 121.268 0.556 . . . . 0.0 110.802 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.317 -0.84 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.003 -179.778 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.432 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 120.823 0.344 . . . . 0.0 110.932 . . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.6 t -95.56 161.74 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.748 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 72.9 mtt180 -79.33 -171.88 2.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.113 -179.317 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 tp -67.92 -28.76 67.76 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.346 -179.532 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -155.31 65.41 0.63 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 121.074 0.464 . . . . 0.0 111.176 179.902 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -140.76 156.66 46.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.677 179.73 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.2 t -63.54 148.34 49.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.698 179.834 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.479 ' O ' ' C ' ' A' ' 9' ' ' LEU . 29.9 p -109.48 -24.3 11.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.33 -179.742 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.479 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.4 OUTLIER 22.91 91.42 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 122.757 0.423 . . . . 0.0 112.078 -179.866 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.441 ' O ' ' HB2' ' A' ' 11' ' ' GLN . . . 161.52 -19.92 0.19 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.879 -179.82 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.441 ' HB2' ' O ' ' A' ' 10' ' ' GLY . 9.4 mm-40 70.33 -47.14 0.62 Allowed 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -85.41 5.36 31.3 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 -179.628 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.4 t -106.73 83.54 1.28 Allowed Pre-proline 0 C--N 1.331 -0.203 0 CA-C-O 120.758 0.313 . . . . 0.0 111.205 179.94 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -72.17 163.12 39.7 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.474 2.116 . . . . 0.0 112.124 179.783 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.2 t -63.86 140.67 58.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.044 0.45 . . . . 0.0 111.145 -179.91 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.432 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -71.55 -7.49 48.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.358 179.773 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.43 139.95 36.13 Favored Pre-proline 0 CA--C 1.531 0.212 0 CA-C-O 120.842 0.353 . . . . 0.0 111.311 -179.506 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -55.54 132.05 49.82 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.435 2.09 . . . . 0.0 111.9 179.575 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 34.0 t 62.62 16.87 9.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.18 -179.634 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -104.95 136.86 43.65 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.775 0.322 . . . . 0.0 110.945 179.789 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.0 t -136.95 150.77 48.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.929 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 18.8 t -72.38 121.24 19.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.241 -179.838 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -107.64 138.42 43.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.615 179.615 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.6 m -103.69 132.9 49.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.958 -179.829 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.6 -11.34 60.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.253 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.514 ' CD2' ' CZ ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -144.81 -158.69 0.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 179.681 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.514 ' CZ ' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.57 -65.68 0.57 Allowed 'General case' 0 N--CA 1.446 -0.632 0 CA-C-O 120.859 0.362 . . . . 0.0 110.322 179.511 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -155.44 81.47 1.04 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.657 179.566 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.39 -75.12 0.14 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.739 0.304 . . . . 0.0 111.505 -179.707 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -83.74 71.77 10.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.857 0.36 . . . . 0.0 110.941 -179.599 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 38.3 m -102.24 115.21 30.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.126 -179.858 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -137.27 162.77 32.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.54 179.569 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 9.9 t -52.29 139.87 23.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.926 0.393 . . . . 0.0 111.259 -179.848 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.32 127.52 26.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.38 179.625 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.9 mtmt -84.26 12.32 6.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.801 -179.612 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.87 111.74 0.02 OUTLIER 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 121.218 0.532 . . . . 0.0 111.148 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.82 54.02 3.36 Favored Glycine 0 CA--C 1.518 0.219 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.655 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.9 p -91.07 76.88 6.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.86 0.362 . . . . 0.0 110.56 179.827 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.33 -17.28 53.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.453 -179.741 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -83.92 -36.6 23.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.872 0.368 . . . . 0.0 110.866 179.898 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -150.36 67.72 8.3 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -77.77 140.93 18.93 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.611 2.207 . . . . 0.0 112.582 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 37.6 m -82.29 -118.18 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.071 0 CA-C-O 121.179 0.514 . . . . 0.0 110.856 179.909 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.315 -0.899 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.004 -179.85 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.41 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.698 0.285 . . . . 0.0 110.806 . . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.0 t -92.97 161.89 2.48 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.273 0 CA-C-O 120.85 0.357 . . . . 0.0 110.782 179.84 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 57.4 mtt180 -78.82 -167.18 1.04 Allowed 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.102 -179.261 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.9 tp -69.58 -27.4 65.08 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.192 -179.803 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -155.5 69.59 0.7 Allowed 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.907 179.821 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -138.47 162.18 35.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.695 179.874 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.0 p -78.85 154.4 29.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 -179.893 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 9' ' ' LEU . 2.6 p -112.32 -7.81 13.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.343 179.745 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.3 OUTLIER 24.48 95.21 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -179.994 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 127.67 -24.23 5.23 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.577 179.842 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.55 -5.48 1.98 Allowed 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -179.932 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -94.5 25.47 3.92 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.78 0.324 . . . . 0.0 111.017 179.596 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.5 t -141.31 88.27 10.09 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.25 -179.747 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -68.23 159.82 51.56 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.454 2.103 . . . . 0.0 112.12 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.8 t -63.96 133.67 53.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.268 -179.825 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.41 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.15 -5.69 37.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.215 179.125 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -91.62 136.69 26.3 Favored Pre-proline 0 C--O 1.234 0.282 0 CA-C-O 120.873 0.368 . . . . 0.0 111.502 -179.422 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -54.58 136.13 69.21 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.57 2.18 . . . . 0.0 111.804 179.458 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.5 t 64.71 12.26 7.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.096 -179.438 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -108.96 134.74 51.21 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 120.75 0.309 . . . . 0.0 110.918 179.817 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.6 t -139.71 145.39 38.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.871 0.367 . . . . 0.0 111.078 -179.933 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.1 t -73.8 130.49 40.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.962 179.829 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.448 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 0.5 OUTLIER -132.35 148.79 52.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.78 179.659 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 21.5 m -103.79 132.47 50.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.959 -179.913 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -73.27 -10.44 59.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.346 179.836 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.499 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.6 -155.75 0.64 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.8 179.645 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.499 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.98 -68.44 0.2 Allowed 'General case' 0 N--CA 1.446 -0.659 0 CA-C-O 120.914 0.388 . . . . 0.0 110.308 179.533 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -154.87 81.53 1.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.728 179.584 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.76 -72.68 0.15 Allowed 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 121.0 -0.28 . . . . 0.0 111.71 -179.66 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.95 66.0 8.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.932 0.396 . . . . 0.0 111.049 -179.61 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 39.9 m -97.47 103.94 15.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.684 179.806 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.453 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 1.3 p90 -137.71 163.94 30.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.936 0.398 . . . . 0.0 111.465 -179.717 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.8 t -56.44 145.28 28.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.285 -179.729 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.448 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 2.1 ttt180 -137.4 128.3 27.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.542 179.553 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? -84.43 14.75 4.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.778 -179.729 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.82 110.94 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 121.167 0.508 . . . . 0.0 111.056 179.833 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.87 54.42 3.79 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.712 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 39.5 p -91.38 76.39 5.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.929 0.395 . . . . 0.0 110.621 179.73 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.47 -17.68 55.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.544 -179.793 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.9 mtp -84.34 -35.19 23.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.745 179.956 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 16.8 m-20 -150.04 66.9 8.2 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.86 147.36 30.74 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.56 2.173 . . . . 0.0 112.443 -179.936 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 39.4 m -82.01 -117.41 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.092 0 CA-C-O 121.236 0.541 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.316 -0.868 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.042 -179.791 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.9 p . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.702 0.286 . . . . 0.0 111.321 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.415 ' CG1' ' HB3' ' A' ' 6' ' ' GLU . 5.6 t -95.54 162.69 2.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 -179.779 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -78.64 -166.42 0.87 Allowed 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.069 -179.588 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.3 tp -69.51 -25.64 64.14 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.615 -179.55 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.4 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 0.0 OUTLIER -155.13 70.42 0.75 Allowed 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 120.892 0.377 . . . . 0.0 111.319 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.415 ' HB3' ' CG1' ' A' ' 2' ' ' VAL . 8.8 tp10 -140.08 158.96 43.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.564 179.576 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.6 152.38 31.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.258 -179.623 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 9' ' ' LEU . 31.2 p -112.95 -11.62 13.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.366 179.863 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER 27.07 95.73 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.083 0.553 . . . . 0.0 112.384 -179.924 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.461 ' O ' ' CG ' ' A' ' 11' ' ' GLN . . . 120.61 -5.35 11.73 Favored Glycine 0 C--N 1.33 0.22 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.62 -179.931 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.461 ' CG ' ' O ' ' A' ' 10' ' ' GLY . 7.8 pt20 51.7 20.65 1.16 Allowed 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -100.51 -23.75 14.63 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.859 0.361 . . . . 0.0 110.754 179.304 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.8 t -99.77 100.89 12.06 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.553 -179.79 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -75.72 160.81 37.42 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.266 1.977 . . . . 0.0 112.14 179.592 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.3 t -65.29 144.96 56.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.299 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 66.2 m -72.52 -5.18 35.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.854 -179.933 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -99.13 139.68 21.16 Favored Pre-proline 0 C--O 1.233 0.229 0 CA-C-O 121.105 0.479 . . . . 0.0 111.995 -178.881 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -55.65 137.76 79.06 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.476 2.117 . . . . 0.0 111.515 179.204 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.8 t 65.17 10.26 6.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.052 -179.201 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -105.48 122.33 45.77 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 120.991 0.424 . . . . 0.0 110.818 179.743 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 t -126.64 161.0 29.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.678 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.3 t -71.81 107.36 4.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.239 -179.614 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -95.42 136.42 35.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.586 179.615 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.8 m -109.97 134.72 51.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.953 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.59 -13.69 61.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.31 179.932 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.5 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -146.68 -156.03 0.68 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.973 179.663 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.5 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.57 -64.93 0.71 Allowed 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 120.929 0.395 . . . . 0.0 110.568 179.652 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -155.68 83.86 1.03 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.644 179.656 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -149.95 -78.0 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.498 -179.765 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -84.73 69.18 10.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.942 0.401 . . . . 0.0 110.926 -179.806 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 66.9 m -98.79 107.39 19.82 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.985 -179.869 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.442 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 1.2 p90 -135.7 166.41 23.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 179.834 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.9 t -53.55 137.69 35.91 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.005 0.431 . . . . 0.0 111.23 -179.695 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -141.32 122.84 15.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.326 179.44 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.99 22.67 1.13 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.791 -179.655 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 58.71 109.26 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.325 0 CA-C-O 121.213 0.53 . . . . 0.0 111.258 179.755 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.48 55.92 4.42 Favored Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 115.527 -0.761 . . . . 0.0 112.633 179.898 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.02 75.86 7.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.881 0.372 . . . . 0.0 110.558 179.885 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.59 -17.52 55.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.332 -179.8 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 32.5 tpp -84.2 -44.75 13.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.825 179.894 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -150.03 75.2 9.07 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.986 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -80.53 164.05 21.33 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.654 2.236 . . . . 0.0 112.315 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 48.5 m -82.16 -117.42 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.056 0 CA-C-O 121.218 0.532 . . . . 0.0 110.695 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.6 p . . . . . 0 C--N 1.316 -0.864 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.993 -179.77 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.402 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.474 0 CA-C-O 120.791 0.329 . . . . 0.0 110.841 . . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.6 t -94.6 161.75 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.0 179.779 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 84.2 mtt180 -78.98 -169.23 1.72 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.124 -179.182 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 tp -69.04 -23.24 64.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.547 -179.587 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.462 ' N ' ' CD2' ' A' ' 5' ' ' HIS . 0.0 OUTLIER -156.07 67.94 0.61 Allowed 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 120.972 0.415 . . . . 0.0 111.07 179.846 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -139.62 159.6 41.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.752 179.863 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 79.5 p -75.83 144.22 41.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.774 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 9' ' ' LEU . 27.8 p -108.99 -24.31 11.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.225 -179.912 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.46 ' C ' ' O ' ' A' ' 8' ' ' CYS . 1.1 pp 23.59 87.09 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.166 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 165.59 -29.12 0.2 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.429 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 78.19 -30.5 0.16 Allowed 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.58 -5.56 55.77 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.535 0.207 . . . . 0.0 111.317 179.818 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.6 t -105.82 83.32 1.01 Allowed Pre-proline 0 C--N 1.332 -0.195 0 CA-C-O 120.677 0.275 . . . . 0.0 111.233 -179.926 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.66 164.91 34.24 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.455 2.103 . . . . 0.0 112.039 179.866 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.0 t -63.22 137.25 58.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.947 0.404 . . . . 0.0 111.121 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.402 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -71.37 -6.43 40.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.393 179.624 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.09 140.32 36.95 Favored Pre-proline 0 CA--C 1.531 0.249 0 CA-C-O 120.849 0.356 . . . . 0.0 111.234 -179.451 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -54.65 131.96 48.77 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.579 2.186 . . . . 0.0 112.072 179.65 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 23.4 t 63.03 16.35 9.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.351 179.934 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -104.51 136.53 43.89 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.838 0.351 . . . . 0.0 111.016 179.887 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.3 t -135.12 151.12 50.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.84 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.8 t -72.83 119.25 16.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.146 -179.861 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -108.51 137.66 46.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.585 179.588 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 57.8 m -100.11 127.03 46.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.03 -179.825 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.96 -9.62 58.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.507 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.524 ' CD2' ' CZ ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -143.92 -158.45 0.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 179.651 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.524 ' CZ ' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.42 -68.6 0.2 Allowed 'General case' 0 N--CA 1.445 -0.695 0 CA-C-O 120.86 0.362 . . . . 0.0 110.41 179.592 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -155.16 75.48 0.95 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.681 179.57 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -153.09 -63.98 0.15 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.668 -179.799 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -84.3 64.31 8.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.08 -179.73 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 31.9 m -100.66 112.1 24.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 179.907 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -136.07 169.36 17.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.706 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 13.3 t -55.37 138.25 46.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.065 0.459 . . . . 0.0 111.143 -179.83 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -137.0 111.91 8.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.297 179.517 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.46 19.66 1.88 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.874 -179.49 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 60.8 111.53 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 121.212 0.529 . . . . 0.0 111.038 179.879 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.27 53.45 3.1 Favored Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 115.441 -0.8 . . . . 0.0 112.782 -179.942 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.5 p -90.87 76.08 6.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.863 0.364 . . . . 0.0 110.681 179.675 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.28 -18.0 56.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.476 -179.794 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.6 mpp? -84.8 -38.26 19.79 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.801 179.888 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -150.11 78.02 8.13 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.992 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.27 165.04 33.8 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.444 2.096 . . . . 0.0 112.31 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 34.4 m -82.5 -118.89 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.117 0 CA-C-O 121.259 0.552 . . . . 0.0 110.806 -179.939 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.316 -0.878 0 CA-C-N 115.349 -0.842 . . . . 0.0 111.005 -179.789 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.429 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 120.832 0.348 . . . . 0.0 110.834 . . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.1 t -93.96 164.59 2.06 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.645 179.659 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 24.4 mtt180 -78.08 -164.37 0.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.076 -179.226 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.7 tp -68.38 -35.71 78.1 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.333 -179.479 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.84 39.42 0.43 Allowed 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.196 179.825 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -104.77 167.58 9.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.658 179.637 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 28.0 m -68.06 150.04 48.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.782 179.96 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.48 ' O ' ' C ' ' A' ' 9' ' ' LEU . 16.8 p -109.13 -23.22 11.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.219 -179.851 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.521 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 1.6 pt? 17.15 99.13 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.284 0.634 . . . . 0.0 112.569 -179.832 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 154.31 -22.84 0.66 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.631 -179.873 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 74.43 -48.3 0.65 Allowed 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -180.0 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -90.47 36.8 0.89 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.845 0.355 . . . . 0.0 111.16 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.6 t -137.03 84.54 24.82 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.0 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -71.24 162.17 43.36 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.562 2.175 . . . . 0.0 112.397 179.947 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.1 t -63.85 140.28 58.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.402 -179.821 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.429 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.52 -5.77 39.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.523 179.511 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.02 140.37 22.42 Favored Pre-proline 0 C--O 1.234 0.237 0 CA-C-O 120.93 0.395 . . . . 0.0 111.681 -179.27 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -55.62 134.55 64.61 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.614 2.209 . . . . 0.0 111.887 179.505 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.9 t 64.08 13.09 7.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.023 -179.536 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -106.49 134.04 50.25 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.745 0.307 . . . . 0.0 110.889 179.711 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.4 t -140.07 156.02 46.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.6 t -71.77 145.54 48.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.879 0.371 . . . . 0.0 111.006 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -145.02 134.69 23.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.552 179.933 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.6 m -98.83 136.87 38.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.959 -179.865 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.54 -10.73 60.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.208 179.704 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.491 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.4 -154.25 0.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.844 179.591 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.491 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.89 -67.56 0.28 Allowed 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 120.851 0.358 . . . . 0.0 110.42 179.573 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 -156.13 83.5 1.0 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.802 179.63 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.11 -77.55 0.13 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.779 0.289 . . . . 0.0 111.779 -179.745 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.42 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . 14.3 m-85 -83.9 73.06 10.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.805 0.336 . . . . 0.0 111.171 -179.488 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.1 m -100.58 113.94 27.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.36 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.42 ' CE2' ' HB3' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -136.41 166.35 23.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.694 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.3 t -61.28 147.54 44.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.354 -179.794 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.55 126.92 19.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.226 179.213 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.87 15.03 4.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.804 -179.499 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.06 110.89 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.325 0 CA-C-O 121.164 0.507 . . . . 0.0 111.022 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -84.42 51.6 4.58 Favored Glycine 0 N--CA 1.451 -0.358 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.684 -179.79 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 29.6 p -91.47 75.92 5.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.816 0.341 . . . . 0.0 110.594 179.771 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.56 -18.76 60.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.415 -179.874 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 10.5 tpp -84.8 -33.22 23.0 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.803 179.927 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -150.11 65.22 7.27 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.927 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -79.02 154.58 25.74 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.651 2.234 . . . . 0.0 112.366 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 41.5 m -81.8 -117.38 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.057 0 CA-C-O 121.282 0.563 . . . . 0.0 110.825 179.937 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 53.1 p . . . . . 0 C--N 1.317 -0.832 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.129 -179.845 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.432 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.467 0 CA-C-O 120.831 0.348 . . . . 0.0 110.88 . . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.6 t -94.09 166.61 1.76 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.629 179.699 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.4 ' HB2' ' HG2' ' A' ' 6' ' ' GLU . 54.9 mtt180 -77.71 -162.4 0.31 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.971 -179.326 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 35.4 tp -66.99 -44.15 81.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.67 -179.045 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -156.54 75.54 0.86 Allowed 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 120.777 0.322 . . . . 0.0 111.655 -179.826 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.4 ' HG2' ' HB2' ' A' ' 3' ' ' ARG . 0.3 OUTLIER -141.69 176.0 9.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.662 179.452 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 25.5 p -70.75 138.33 50.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.66 179.76 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.463 ' O ' ' C ' ' A' ' 9' ' ' LEU . 28.5 p -109.01 -26.67 10.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.36 -179.797 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.463 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.3 OUTLIER 23.83 91.68 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.085 -179.958 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 170.65 -25.25 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.855 -179.836 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 75.42 -50.7 0.64 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.645 0.223 . . . . 0.0 111.542 -179.948 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.37 9.32 20.97 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.592 0.219 . . . . 0.0 111.592 -179.752 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.3 t -106.27 83.72 1.21 Allowed Pre-proline 0 C--N 1.332 -0.186 0 CA-C-O 120.631 0.253 . . . . 0.0 111.09 179.776 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.411 ' O ' ' HB3' ' A' ' 1' ' ' CYS . 46.8 Cg_endo -70.57 158.87 54.63 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.458 2.105 . . . . 0.0 112.295 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.3 t -65.75 138.72 58.13 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.455 -179.927 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.432 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -73.11 -4.68 34.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.497 179.581 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -99.3 133.86 21.7 Favored Pre-proline 0 C--O 1.235 0.321 0 CA-C-O 120.938 0.399 . . . . 0.0 111.869 -178.918 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -54.5 139.16 75.22 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.573 2.182 . . . . 0.0 111.678 179.26 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 45.6 t 64.72 9.61 5.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.013 -179.257 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -107.31 132.01 53.59 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-O 120.834 0.35 . . . . 0.0 110.94 179.721 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 t -138.42 146.61 42.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.987 -179.807 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.6 t -74.45 120.51 20.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.906 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.465 ' CD1' ' HB3' ' A' ' 34' ' ' ARG . 3.5 p90 -116.92 141.56 48.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.546 179.615 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 29.7 m -99.02 130.94 45.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.167 -179.791 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.06 -9.81 59.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.361 179.796 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.506 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -144.32 -154.89 0.56 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.879 179.753 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.506 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.77 -70.37 0.11 Allowed 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 120.928 0.394 . . . . 0.0 110.434 179.497 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -155.97 78.11 0.97 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.631 179.468 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.5 -66.76 0.16 Allowed 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 -179.722 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -84.15 65.65 8.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.944 0.402 . . . . 0.0 111.077 -179.489 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 17.4 m -99.84 114.03 26.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.046 179.924 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.438 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -137.29 159.72 41.1 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.813 179.704 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.8 t -63.6 142.14 58.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.018 0.437 . . . . 0.0 111.433 -179.713 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.465 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -140.18 134.37 31.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.229 178.972 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -85.36 28.02 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.73 -179.566 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 57.24 108.31 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.17 0.509 . . . . 0.0 111.3 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.49 55.78 4.42 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.716 -179.85 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 63.2 p -92.04 77.78 5.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.866 0.365 . . . . 0.0 110.404 179.653 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.61 -15.51 28.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.62 -179.763 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 11.7 mtm -83.82 -40.14 19.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.678 179.911 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -150.86 74.39 8.55 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.173 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -74.71 158.58 43.18 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.546 2.164 . . . . 0.0 112.262 179.742 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 55.5 m -81.87 -117.5 0.02 OUTLIER 'General case' 0 N--CA 1.439 -0.994 0 CA-C-O 121.245 0.545 . . . . 0.0 110.808 179.937 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.4 m . . . . . 0 C--N 1.316 -0.879 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.045 -179.785 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.892 0.377 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.4 t -96.54 162.11 2.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.294 -179.888 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.3 mtt85 -78.25 -164.51 0.55 Allowed 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 -179.528 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.1 tp -67.16 -26.83 66.85 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.293 -179.619 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -156.36 75.23 0.86 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.976 179.814 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -137.58 161.57 36.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.689 179.765 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.3 p -81.68 148.16 29.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.079 -179.867 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 9' ' ' LEU . 26.5 p -111.91 -13.23 13.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.337 179.914 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER 25.79 94.01 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.074 0.549 . . . . 0.0 112.296 -179.925 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.45 -17.92 7.81 Favored Glycine 0 CA--C 1.518 0.28 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.554 179.938 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 68.6 5.93 5.15 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 -179.806 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.75 20.13 10.27 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.675 0.274 . . . . 0.0 110.952 179.515 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.0 t -142.03 89.64 8.72 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.33 -179.763 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -69.36 159.5 53.48 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.503 2.135 . . . . 0.0 112.284 179.849 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.9 t -64.3 145.31 56.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.105 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.7 m -71.46 -8.4 53.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.554 179.856 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -88.88 141.43 29.72 Favored Pre-proline 0 C--O 1.234 0.285 0 CA-C-O 121.061 0.458 . . . . 0.0 111.636 -179.194 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -55.39 136.71 74.92 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.583 2.189 . . . . 0.0 111.694 179.519 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER 61.05 12.57 4.06 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.609 -179.775 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -103.92 133.04 49.56 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-O 120.875 0.369 . . . . 0.0 110.895 179.622 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.1 t -134.13 156.14 48.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.811 -179.875 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 10.6 t -72.23 123.12 22.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 179.961 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -119.33 149.07 42.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.615 179.816 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.0 m -107.63 132.88 52.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.981 -179.834 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.46 -9.9 59.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.337 179.714 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -143.85 -158.11 0.85 Allowed 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.738 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -55.89 -67.67 0.27 Allowed 'General case' 0 N--CA 1.446 -0.669 0 CA-C-O 120.905 0.383 . . . . 0.0 110.422 179.527 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.1 p-10 -155.76 80.18 1.01 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.694 179.427 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.01 -71.38 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.974 -0.291 . . . . 0.0 111.644 -179.731 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.19 66.73 9.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.893 -179.718 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 47.4 m -98.3 107.1 19.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -137.0 173.82 11.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.154 179.828 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -54.78 136.58 46.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.259 -179.839 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.32 116.55 11.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.37 179.32 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.3 mtpt -84.64 23.84 1.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.731 -179.521 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 59.57 110.49 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 121.27 0.557 . . . . 0.0 111.251 179.817 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -78.74 54.65 4.14 Favored Glycine 0 N--CA 1.451 -0.301 0 CA-C-N 115.399 -0.819 . . . . 0.0 112.602 -179.87 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 62.3 p -91.18 76.99 6.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 110.452 179.85 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.15 -17.02 50.72 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.534 -179.815 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 15.2 ttm -84.28 -35.55 23.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.778 179.845 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -150.38 66.97 7.99 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -77.68 162.81 29.76 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.521 2.147 . . . . 0.0 112.335 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 38.0 m -82.3 -118.48 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.103 0 CA-C-O 121.216 0.531 . . . . 0.0 110.718 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.316 -0.855 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.079 -179.895 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.405 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.445 0 CA-C-O 120.88 0.371 . . . . 0.0 110.917 . . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.1 t -96.5 166.29 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.856 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.1 mtt85 -79.42 -164.59 0.65 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.866 -179.708 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 tp -68.89 -31.52 70.51 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.148 -179.686 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -155.46 71.42 0.77 Allowed 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.215 179.882 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.8 tp10 -140.22 160.19 40.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.924 179.906 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.2 t -77.14 151.62 35.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.744 179.749 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.515 ' O ' ' CB ' ' A' ' 9' ' ' LEU . 2.7 p -110.36 -42.87 4.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.009 -179.957 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.515 ' CB ' ' O ' ' A' ' 8' ' ' CYS . 12.0 tp 92.67 116.94 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.762 179.873 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 61.55 17.47 53.66 Favored Glycine 0 CA--C 1.517 0.171 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.897 179.892 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 47.01 28.01 0.82 Allowed 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 179.885 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -90.62 7.8 37.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.314 179.79 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.6 t -142.97 99.55 5.51 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.166 -179.963 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -67.78 160.49 48.07 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.246 1.964 . . . . 0.0 112.033 179.813 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.4 t -63.88 137.73 58.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.3 -179.82 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.405 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.03 -6.71 44.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.378 179.417 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.92 142.75 32.48 Favored Pre-proline 0 C--O 1.233 0.234 0 CA-C-O 120.899 0.38 . . . . 0.0 111.619 -179.321 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -55.68 133.66 59.4 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.605 2.203 . . . . 0.0 111.926 179.525 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.2 t 63.1 14.57 7.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.182 -179.434 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -108.26 133.64 52.21 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.865 0.364 . . . . 0.0 110.975 179.773 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.1 t -136.98 148.17 46.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.755 -179.941 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -73.06 113.59 10.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.924 179.948 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.477 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -113.52 152.47 30.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.848 179.791 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 18.2 m -105.82 137.58 43.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.124 -179.873 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.89 -11.35 60.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.358 179.78 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.496 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.81 -155.78 0.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.823 179.654 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.496 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.42 -66.08 0.5 Allowed 'General case' 0 N--CA 1.445 -0.715 0 CA-C-O 121.008 0.432 . . . . 0.0 110.395 179.535 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -156.18 83.02 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.704 179.691 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.66 -77.26 0.13 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.698 0.285 . . . . 0.0 111.671 -179.744 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -84.05 72.07 10.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.066 -179.596 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 35.1 m -99.34 107.4 19.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.057 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.475 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.9 OUTLIER -136.72 171.85 13.88 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.21 179.885 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.2 t -55.54 139.33 44.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.653 -179.562 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.477 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -137.42 112.82 9.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.128 179.322 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.69 19.36 1.67 Allowed 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -179.339 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 59.91 110.89 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 121.234 0.54 . . . . 0.0 111.281 179.699 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -84.67 51.36 4.55 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.433 -0.803 . . . . 0.0 112.607 -179.935 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.4 p -91.21 76.43 6.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.855 0.36 . . . . 0.0 110.651 179.828 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.63 -17.52 55.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.552 -179.757 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.4 ttm -84.59 -35.91 22.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.73 179.85 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -150.16 66.31 7.81 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 179.924 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -81.41 157.24 19.42 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.728 2.285 . . . . 0.0 112.506 -179.926 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 45.6 m -81.76 -116.77 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.062 0 CA-C-O 121.213 0.53 . . . . 0.0 110.799 179.903 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.1 p . . . . . 0 C--N 1.316 -0.868 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.005 -179.948 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.9 p . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.74 0.305 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.401 ' CG2' ' HB3' ' A' ' 8' ' ' CYS . 2.1 t -96.13 165.85 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.056 0.455 . . . . 0.0 111.416 -179.624 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 13.5 mtt180 -78.14 -168.12 1.21 Allowed 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.855 -179.619 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.6 tp -68.74 -34.58 75.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.768 0.318 . . . . 0.0 111.347 -179.497 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.92 71.63 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.164 179.937 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -140.37 164.66 29.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.766 179.793 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.6 t -82.5 143.29 31.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.702 179.846 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 9' ' ' LEU . 20.9 p -117.48 -30.15 5.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.496 -179.653 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 8' ' ' CYS . 1.2 pp 29.33 41.29 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.99 -179.464 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 8' ' ' CYS . . . -126.41 -11.88 3.61 Favored Glycine 0 CA--C 1.52 0.367 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.925 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 71.41 -58.08 0.59 Allowed 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 179.735 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.34 14.12 10.23 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -179.27 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.5 t -105.49 86.46 1.75 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 120.614 0.245 . . . . 0.0 111.189 179.604 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -69.65 157.51 60.35 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.379 2.053 . . . . 0.0 112.521 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.7 t -65.51 145.44 56.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.358 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.2 m -72.32 -6.33 42.46 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.777 179.838 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.95 142.18 24.16 Favored Pre-proline 0 C--O 1.233 0.232 0 CA-C-O 121.087 0.47 . . . . 0.0 112.003 -178.916 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_endo -56.81 135.93 73.49 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.53 2.153 . . . . 0.0 111.579 179.388 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.4 t 64.55 10.93 6.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 -179.339 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -104.16 131.0 51.9 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 120.781 0.324 . . . . 0.0 110.656 179.485 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.9 t -135.25 148.89 49.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.766 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.14 120.11 17.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.968 179.943 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -122.22 152.7 39.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.882 179.868 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 39.2 m -110.26 131.01 55.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.217 -179.734 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.5 ttp180 -73.96 -12.14 60.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.33 179.622 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.511 ' CD2' ' CZ ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -144.82 -158.73 0.92 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.754 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.511 ' CZ ' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.82 -66.44 0.45 Allowed 'General case' 0 N--CA 1.445 -0.708 0 CA-C-O 121.054 0.454 . . . . 0.0 110.489 179.675 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -154.68 78.91 1.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.734 179.693 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.61 -66.68 0.16 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.811 0.339 . . . . 0.0 111.302 -179.916 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.411 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 7.0 m-85 -84.65 59.13 5.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.741 -179.915 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 65.0 m -96.82 101.28 12.85 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.246 -179.62 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -139.77 171.71 13.83 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.925 179.474 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.1 t -57.33 145.09 33.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.119 0.485 . . . . 0.0 111.521 -179.574 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.407 ' HD3' ' HA ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -136.43 113.59 10.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.178 179.509 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.92 6.63 15.25 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -179.039 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.407 ' HA ' ' HD3' ' A' ' 34' ' ' ARG . 0.4 OUTLIER 61.21 111.1 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.295 0.569 . . . . 0.0 111.226 179.775 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -92.67 51.52 2.64 Favored Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 115.285 -0.871 . . . . 0.0 112.535 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.9 p -91.66 77.75 5.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.857 0.36 . . . . 0.0 110.512 179.729 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.41 -17.47 44.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.574 -179.725 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.5 ttm -84.04 -30.76 25.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.885 0.374 . . . . 0.0 110.639 179.785 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -150.31 61.39 4.8 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.831 179.919 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_endo -78.52 154.49 27.56 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.645 2.23 . . . . 0.0 112.325 -179.954 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 44.0 m -81.56 -116.35 0.02 OUTLIER 'General case' 0 N--CA 1.439 -1.013 0 CA-C-O 121.129 0.49 . . . . 0.0 110.96 179.929 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--N 1.316 -0.862 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.987 -179.757 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 120.836 0.351 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.413 ' O ' ' HB2' ' A' ' 16' ' ' CYS . 0.3 OUTLIER -95.27 -175.31 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.587 179.661 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 29.2 mtt180 -81.08 -165.43 0.92 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.911 0.386 . . . . 0.0 111.439 -179.07 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.8 tp -70.1 -28.84 65.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.279 -179.572 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -154.74 44.83 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.219 -179.931 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -104.98 162.61 13.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.637 179.546 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.3 m -82.72 149.63 27.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.087 -179.797 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 9' ' ' LEU . 6.8 p -112.0 -12.46 13.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.341 179.911 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.3 OUTLIER 26.45 93.91 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 179.998 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 125.02 -17.23 7.16 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.458 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 68.79 7.03 5.89 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.787 0.292 . . . . 0.0 111.787 179.93 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -94.93 17.49 13.71 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.697 0.284 . . . . 0.0 111.042 179.49 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 39.2 t -142.28 87.01 9.74 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.215 -179.96 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -68.63 159.61 52.9 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.466 2.111 . . . . 0.0 112.105 179.802 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.0 t -64.43 133.81 53.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.296 -179.832 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER -73.3 -1.67 18.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.587 179.443 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -93.68 142.37 25.03 Favored Pre-proline 0 CA--C 1.53 0.207 0 CA-C-O 120.936 0.398 . . . . 0.0 111.579 -179.454 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -55.5 133.46 58.22 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.587 2.191 . . . . 0.0 111.847 179.627 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 35.0 t 62.89 15.28 8.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 -179.547 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -105.56 132.11 52.12 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 120.705 0.288 . . . . 0.0 110.777 179.735 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.5 t -135.83 143.13 44.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.936 0.398 . . . . 0.0 111.033 -179.819 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.8 t -73.44 111.69 8.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.02 179.868 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.451 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -115.87 156.02 26.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.727 179.847 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 13.0 m -104.29 138.13 41.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.081 -179.715 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.07 -10.49 59.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.293 179.73 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.489 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.24 -155.0 0.57 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.725 179.678 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.489 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.85 -68.54 0.19 Allowed 'General case' 0 N--CA 1.447 -0.601 0 CA-C-O 120.888 0.375 . . . . 0.0 110.36 179.536 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -155.97 81.48 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.673 179.58 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.01 -73.19 0.15 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.738 0.304 . . . . 0.0 111.689 -179.728 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.405 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.4 OUTLIER -83.93 70.5 10.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.973 -179.601 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 23.3 m -99.48 108.62 21.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.272 -179.911 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -138.43 164.6 28.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.682 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -53.46 140.4 28.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.296 -179.666 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.451 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 2.5 tmm_? -140.47 120.81 13.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.47 179.277 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -84.81 25.62 0.91 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.542 -179.829 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 60.46 111.38 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 121.191 0.52 . . . . 0.0 111.052 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -78.86 51.33 3.78 Favored Glycine 0 N--CA 1.453 -0.198 0 CA-C-N 115.385 -0.825 . . . . 0.0 112.884 -179.851 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.76 78.53 4.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.936 0.398 . . . . 0.0 110.417 179.566 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.01 -15.17 28.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.767 -179.678 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -83.65 -37.35 22.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.85 0.357 . . . . 0.0 110.844 179.88 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 -150.34 67.0 8.04 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.987 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.25 151.47 38.44 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.668 2.245 . . . . 0.0 112.479 -179.866 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 37.8 m -82.46 -118.71 0.02 OUTLIER 'General case' 0 N--CA 1.436 -1.134 0 CA-C-O 121.295 0.569 . . . . 0.0 110.837 179.888 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.315 -0.893 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.027 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.401 ' HB3' ' O ' ' A' ' 14' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.505 0 CA-C-O 120.901 0.381 . . . . 0.0 110.911 . . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 24.4 t -96.73 158.25 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.028 179.684 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 29.0 mtp180 -80.33 -175.94 5.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.071 -179.498 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.471 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 13.5 tp -71.93 -63.13 1.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.043 -179.958 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.421 ' CD2' ' HG ' ' A' ' 4' ' ' LEU . 8.7 m-70 -85.35 48.48 1.58 Allowed 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.305 -179.789 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -142.1 161.44 37.99 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.16 0.505 . . . . 0.0 111.7 -179.709 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.481 ' HA ' ' HA ' ' A' ' 32' ' ' TYR . 0.8 OUTLIER -99.09 159.51 14.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.187 179.32 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 10' ' ' GLY . 10.8 p -111.58 -34.44 6.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.691 0.282 . . . . 0.0 111.251 -179.848 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.7 OUTLIER 27.38 41.96 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.178 -179.742 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 8' ' ' CYS . . . -136.23 -7.74 1.68 Allowed Glycine 0 CA--C 1.521 0.411 0 C-N-CA 120.667 -0.777 . . . . 0.0 113.298 -179.649 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 70.35 -58.73 0.54 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 117.031 0.415 . . . . 0.0 111.48 -179.967 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -91.24 36.02 0.93 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.274 -179.752 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 20.4 t -140.52 79.05 20.85 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.875 0.369 . . . . 0.0 111.121 179.816 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.401 ' O ' ' HB3' ' A' ' 1' ' ' CYS . 66.5 Cg_endo -75.93 164.21 32.03 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.489 2.126 . . . . 0.0 112.229 179.934 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 t -63.91 138.69 58.58 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.013 0.435 . . . . 0.0 111.111 -179.925 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.46 -7.49 47.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.277 179.433 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -80.57 135.54 52.93 Favored Pre-proline 0 CA--C 1.532 0.253 0 CA-C-O 120.852 0.358 . . . . 0.0 111.45 -179.487 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -53.22 134.93 58.52 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.602 2.201 . . . . 0.0 111.801 179.646 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.1 t 61.25 18.45 9.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.74 -179.593 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -123.78 118.87 28.16 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-O 120.921 0.391 . . . . 0.0 111.316 -179.987 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.9 t -126.02 169.08 13.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.141 179.621 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.8 t -70.83 142.73 51.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.022 0.439 . . . . 0.0 111.182 -179.769 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.417 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 47.8 t80 -139.07 138.22 36.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.59 179.906 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 15.1 m -105.87 133.52 50.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.725 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.62 -10.78 60.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.312 179.792 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.491 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.94 -155.5 0.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.851 179.601 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.491 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.13 -66.43 0.43 Allowed 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 120.88 0.371 . . . . 0.0 110.491 179.628 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -155.97 83.26 1.01 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.729 179.58 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.2 -74.65 0.15 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.692 -179.77 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.411 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.2 OUTLIER -84.1 66.28 9.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.939 0.4 . . . . 0.0 111.057 -179.582 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 40.9 m -96.68 104.24 16.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 179.871 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.481 ' HA ' ' HA ' ' A' ' 7' ' ' SER . 3.7 p90 -137.47 -179.99 6.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.901 0.381 . . . . 0.0 111.526 -179.897 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.471 ' HB3' ' O ' ' A' ' 4' ' ' LEU . 45.4 t -52.01 136.47 29.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.756 -179.609 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.82 125.08 18.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.037 179.682 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.8 mtmt -84.72 40.81 0.82 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.736 -179.53 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 49.98 103.62 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.263 0.554 . . . . 0.0 111.812 179.644 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -80.12 57.42 4.62 Favored Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.436 179.662 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -91.15 76.89 6.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.838 0.352 . . . . 0.0 110.7 179.962 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.41 -17.46 54.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.381 -179.827 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.6 mmt -84.42 -46.51 11.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.838 179.876 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -150.35 75.26 8.79 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -85.01 167.93 10.78 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.784 2.323 . . . . 0.0 112.429 -179.931 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 43.2 m -81.6 -117.94 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.052 0 CA-C-O 121.237 0.541 . . . . 0.0 110.653 179.872 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.6 t . . . . . 0 C--N 1.316 -0.868 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.047 -179.907 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.898 0.38 . . . . 0.0 111.274 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.5 t -96.82 162.41 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.132 -179.939 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -79.61 -168.26 1.51 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.904 -179.598 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.9 tp -69.1 -23.56 64.02 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.359 -179.739 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.423 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 0.0 OUTLIER -155.47 66.72 0.63 Allowed 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 120.966 0.413 . . . . 0.0 111.057 179.92 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -139.36 160.55 39.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.665 179.798 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.8 p -76.08 151.81 36.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.127 -179.804 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 9' ' ' LEU . 20.1 p -111.03 -11.71 14.28 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.244 179.808 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 8' ' ' CYS . 7.0 tp 25.19 96.04 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.16 0.584 . . . . 0.0 112.575 -179.909 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 127.92 -24.04 5.19 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.489 179.8 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.54 3.33 4.15 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -179.865 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.51 -17.51 21.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.754 0.311 . . . . 0.0 110.934 179.502 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 39.8 t -100.0 96.59 5.03 Favored Pre-proline 0 C--N 1.332 -0.19 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.191 -179.719 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.93 161.28 46.64 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.41 2.073 . . . . 0.0 112.151 179.751 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.0 t -65.0 146.19 55.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.269 179.986 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 93.2 m -71.89 -8.59 55.31 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.581 179.832 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -93.7 138.45 22.85 Favored Pre-proline 0 C--O 1.234 0.254 0 CA-C-O 121.017 0.437 . . . . 0.0 111.814 -178.96 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -55.55 136.28 73.26 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.55 2.166 . . . . 0.0 111.677 179.234 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 46.6 t 65.54 10.84 6.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.263 -179.409 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -105.79 130.2 53.82 Favored 'General case' 0 N--CA 1.457 -0.084 0 CA-C-O 120.843 0.354 . . . . 0.0 110.69 179.621 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.6 t -133.27 162.66 31.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.687 -179.856 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.5 t -70.75 146.59 49.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.959 0.409 . . . . 0.0 111.187 -179.785 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.419 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 10.6 t80 -144.21 133.98 23.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.505 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 34.8 m -99.87 128.59 45.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.958 -179.891 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.83 -10.58 59.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.358 179.779 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.494 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -146.13 -154.57 0.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.93 179.7 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.494 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.81 -69.64 0.14 Allowed 'General case' 0 N--CA 1.445 -0.702 0 CA-C-O 120.889 0.376 . . . . 0.0 110.429 179.658 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -155.02 79.33 1.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.783 179.544 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -153.36 -66.21 0.15 Allowed 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.725 -179.704 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -83.43 59.7 5.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.833 0.349 . . . . 0.0 111.098 -179.618 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 32.7 m -96.67 104.63 16.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.906 179.892 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -136.06 175.91 9.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.445 -179.908 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.3 t -58.5 142.49 48.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.303 -179.68 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -140.13 118.03 11.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.134 179.433 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.55 20.08 1.81 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.822 -179.409 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 60.57 111.12 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 121.161 0.505 . . . . 0.0 111.037 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.26 53.89 3.52 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.906 -179.91 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.76 75.32 6.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.815 0.34 . . . . 0.0 110.587 179.763 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.82 -17.62 56.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.493 -179.771 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 25.8 ttm -84.61 -42.38 15.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.847 179.93 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.7 m-20 -149.91 73.09 9.54 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.941 179.969 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -79.92 156.84 23.83 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.626 2.217 . . . . 0.0 112.336 -179.932 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 41.8 m -81.89 -117.37 0.02 OUTLIER 'General case' 0 N--CA 1.439 -0.999 0 CA-C-O 121.229 0.538 . . . . 0.0 110.861 179.901 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.7 m . . . . . 0 C--N 1.315 -0.903 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.065 -179.747 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.401 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.466 0 CA-C-O 120.783 0.325 . . . . 0.0 110.873 . . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.0 t -92.79 165.48 1.91 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.288 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.524 179.568 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.99 -169.42 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.092 -179.19 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.9 tp -67.33 -34.06 76.57 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.531 -179.39 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -155.39 72.19 0.8 Allowed 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.208 179.842 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -140.26 162.44 35.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.815 179.868 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.8 t -73.77 146.46 44.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.69 179.862 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.462 ' O ' ' C ' ' A' ' 9' ' ' LEU . 21.3 p -109.74 -25.04 10.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.298 -179.849 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.462 ' C ' ' O ' ' A' ' 8' ' ' CYS . 4.3 tp 24.37 88.19 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.106 -179.943 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.98 -25.28 0.23 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.56 -179.76 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 76.55 -37.58 0.29 Allowed 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.01 34.89 0.84 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.663 0.268 . . . . 0.0 111.072 179.991 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.4 t -142.74 82.21 12.59 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.744 0.307 . . . . 0.0 111.203 -179.981 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -73.26 161.41 42.99 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.615 2.21 . . . . 0.0 112.455 -179.999 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.3 t -65.16 135.99 56.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.445 -179.943 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.401 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -73.62 -2.6 23.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.695 179.445 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -98.03 137.82 20.9 Favored Pre-proline 0 C--O 1.234 0.287 0 CA-C-O 120.986 0.422 . . . . 0.0 111.82 -179.038 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -54.47 137.9 73.22 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.562 2.174 . . . . 0.0 111.623 179.396 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 41.8 t 63.68 12.09 6.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.872 -179.174 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -108.0 130.84 55.03 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 120.857 0.36 . . . . 0.0 110.976 179.806 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.5 t -138.51 137.71 37.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.685 -179.923 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 11.9 t -73.58 112.38 9.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 179.936 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.457 ' CD1' ' HG3' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -119.06 156.05 30.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.406 179.743 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 14.2 m -100.42 132.34 45.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.026 -179.737 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.29 -9.07 58.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.325 179.925 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.49 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -144.43 -154.81 0.55 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.788 179.782 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.49 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.51 -70.58 0.1 Allowed 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 120.972 0.415 . . . . 0.0 110.388 179.511 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -155.77 78.21 0.98 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.756 179.483 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.79 -65.29 0.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -179.721 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.427 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 7.4 m-85 -84.3 63.4 7.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.84 0.352 . . . . 0.0 111.125 -179.492 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 19.4 m -96.63 104.87 16.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.947 179.835 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -138.61 163.15 32.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.27 -179.871 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 1.7 t -57.7 136.71 56.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.156 -179.885 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.457 ' HG3' ' CD1' ' A' ' 23' ' ' TYR . 4.6 mmt-85 -138.57 126.59 22.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.32 179.237 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.61 33.91 0.52 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.838 -179.485 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 57.41 109.2 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.226 0.536 . . . . 0.0 111.205 179.766 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -78.79 54.05 4.1 Favored Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.758 179.921 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 70.0 p -92.94 77.86 4.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.893 0.378 . . . . 0.0 110.472 179.776 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.65 -16.34 37.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.539 -179.851 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -84.38 -37.95 20.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.946 179.784 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -150.45 71.93 9.09 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.193 -179.95 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -75.98 159.48 37.75 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.642 2.228 . . . . 0.0 112.424 179.935 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 53.8 m -82.25 -117.29 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.074 0 CA-C-O 121.239 0.542 . . . . 0.0 110.83 179.954 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.317 -0.835 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.154 -179.817 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.414 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 120.775 0.322 . . . . 0.0 110.8 . . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.5 t -93.02 163.13 2.28 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.313 0 CA-C-O 120.892 0.377 . . . . 0.0 110.695 179.769 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.1 mtt85 -78.7 -164.6 0.6 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.147 -179.131 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.0 tp -68.55 -29.27 67.8 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.156 -179.455 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -155.69 46.08 0.48 Allowed 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.884 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.2 tp10 -106.43 158.19 17.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.804 179.776 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 57.0 p -74.54 146.12 42.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.071 179.956 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 9' ' ' LEU . 31.2 p -110.7 -22.07 11.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.221 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 8' ' ' CYS . 27.1 tp 25.67 92.64 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.317 -179.852 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 143.7 -26.99 2.08 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.419 179.94 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 73.4 -7.69 1.49 Allowed 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 111.957 0.355 . . . . 0.0 111.957 -179.995 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.61 -15.3 28.8 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 120.686 0.279 . . . . 0.0 111.108 179.747 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.0 t -102.91 87.95 1.37 Allowed Pre-proline 0 C--N 1.332 -0.18 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.664 -179.714 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -70.06 160.9 47.98 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.428 2.085 . . . . 0.0 112.178 179.712 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.9 t -64.97 135.32 55.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.286 -179.947 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.414 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.93 -3.89 28.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.49 179.483 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.89 140.58 22.56 Favored Pre-proline 0 CA--C 1.532 0.264 0 CA-C-O 120.919 0.39 . . . . 0.0 111.698 -179.24 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -55.72 134.82 66.26 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.572 2.181 . . . . 0.0 111.749 179.558 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.2 t 64.24 13.2 7.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.111 -179.535 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -105.37 130.7 53.42 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.907 0.385 . . . . 0.0 111.045 179.679 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.6 t -136.68 143.7 43.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.791 -179.986 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.3 t -73.75 135.24 43.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.239 -179.9 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.482 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 1.5 p90 -132.48 142.3 49.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.563 179.519 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 21.4 m -97.07 131.36 43.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.293 -179.575 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.47 -8.98 58.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.272 179.633 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.499 ' CE1' ' CE1' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -144.02 -154.41 0.53 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.711 179.685 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.499 ' CE1' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.37 -71.54 0.08 Allowed 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 120.92 0.391 . . . . 0.0 110.361 179.626 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -155.91 77.32 0.95 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.682 179.431 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.8 -64.19 0.16 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.68 0.276 . . . . 0.0 111.711 -179.669 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -84.29 64.64 8.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.806 0.336 . . . . 0.0 111.085 -179.581 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 8.6 m -99.96 116.08 31.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.227 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.483 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.5 OUTLIER -139.31 160.02 40.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.135 179.774 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.5 t -57.72 143.29 42.32 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.413 -179.662 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.482 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 39.6 ttt85 -140.12 128.05 22.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.442 179.256 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.04 27.15 0.79 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.744 -179.723 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 57.79 109.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.16 0.505 . . . . 0.0 111.271 179.93 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.12 55.06 3.56 Favored Glycine 0 N--CA 1.453 -0.189 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.516 179.98 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.2 p -91.96 77.21 5.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.905 0.383 . . . . 0.0 110.658 179.696 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.13 -16.93 49.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.469 -179.842 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 5.8 mtt -84.45 -38.05 20.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.853 179.908 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -150.35 73.21 9.15 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.099 179.977 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.82 152.65 37.25 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.67 2.246 . . . . 0.0 112.377 179.985 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 43.6 m -82.23 -117.21 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.081 0 CA-C-O 121.11 0.481 . . . . 0.0 111.036 179.916 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.4 t . . . . . 0 C--N 1.316 -0.86 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.123 -179.75 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 120.81 0.338 . . . . 0.0 110.833 . . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.5 t -93.46 162.48 2.39 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.289 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.718 179.77 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 17.4 mmt85 -78.59 -165.08 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 -179.19 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.9 tp -68.53 -29.73 68.38 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.095 -179.781 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -155.47 75.47 0.93 Allowed 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.024 179.801 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -136.82 168.08 20.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.539 179.874 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 38.7 t -86.07 145.21 27.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.156 -179.835 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 9' ' ' LEU . 20.5 p -110.23 -16.6 13.72 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.282 179.973 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.6 OUTLIER 26.18 95.4 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -179.897 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 131.08 -22.13 4.53 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.471 179.906 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 68.88 4.88 4.69 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 111.573 0.212 . . . . 0.0 111.573 -179.76 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.77 -19.41 21.08 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.69 0.281 . . . . 0.0 110.823 179.668 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.5 t -102.85 87.85 1.33 Allowed Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.303 -179.828 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -69.44 159.66 52.8 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.378 2.052 . . . . 0.0 112.202 179.811 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.8 t -64.86 135.86 56.22 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.257 -179.924 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.55 -5.63 38.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.339 179.288 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.84 143.38 33.38 Favored Pre-proline 0 C--O 1.233 0.234 0 CA-C-O 120.867 0.365 . . . . 0.0 111.636 -179.407 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_endo -56.55 132.0 49.15 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.706 2.271 . . . . 0.0 111.822 179.513 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.8 t 62.24 16.36 8.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 -179.447 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -105.88 130.73 53.79 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.77 0.319 . . . . 0.0 111.134 179.796 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -137.57 160.06 40.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.504 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.6 t -72.35 151.7 42.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.047 0.451 . . . . 0.0 111.079 -179.846 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -155.47 138.36 15.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.557 179.908 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 22.1 m -98.75 131.8 44.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.123 -179.83 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.89 -10.29 59.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.013 0.435 . . . . 0.0 111.312 179.783 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.492 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.26 -155.15 0.59 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.847 179.634 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.492 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.96 -68.29 0.22 Allowed 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 120.987 0.422 . . . . 0.0 110.427 179.518 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -155.84 80.77 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.769 179.635 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.86 -70.74 0.15 Allowed 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -179.705 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -84.22 66.31 9.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.856 0.36 . . . . 0.0 111.144 -179.46 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 27.9 m -97.84 104.24 16.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.648 179.814 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -134.11 177.9 7.38 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.473 -179.749 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.9 t -68.43 138.79 55.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.571 -179.483 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.04 119.29 11.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.375 178.766 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -83.19 49.71 1.6 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.265 -0.425 . . . . 0.0 112.118 -178.734 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.403 ' O ' ' O ' ' A' ' 35' ' ' LYS . 0.2 OUTLIER 48.55 103.75 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.221 0.534 . . . . 0.0 111.832 179.365 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -71.37 56.48 1.18 Allowed Glycine 0 C--N 1.322 -0.222 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.66 179.755 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.01 76.51 4.72 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.782 0.325 . . . . 0.0 110.738 179.817 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.64 -17.45 55.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.387 -179.937 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.89 -48.37 9.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.914 179.967 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -150.13 79.36 7.62 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.244 -179.962 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -78.54 168.48 21.25 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.621 2.214 . . . . 0.0 112.313 179.842 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 47.4 m -82.08 -117.55 0.02 OUTLIER 'General case' 0 N--CA 1.439 -1.003 0 CA-C-O 121.209 0.528 . . . . 0.0 110.82 179.913 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.316 -0.85 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.995 -179.823 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.422 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 120.795 0.331 . . . . 0.0 110.875 . . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.7 t -94.34 166.09 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.668 179.769 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 76.7 mtt180 -78.02 -166.86 0.87 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.982 -179.321 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 14.5 tp -69.05 -37.36 78.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.286 -179.512 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -154.78 68.21 0.71 Allowed 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.096 179.846 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -139.59 169.65 17.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.833 179.85 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 70.0 p -65.13 144.75 57.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.714 179.787 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 9' ' ' LEU . 21.3 p -109.42 -26.46 9.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.213 -179.888 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.46 ' C ' ' O ' ' A' ' 8' ' ' CYS . 1.6 pp 22.26 93.36 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.235 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 164.49 -23.66 0.17 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.943 -179.894 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 74.24 -52.25 0.69 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.701 0.251 . . . . 0.0 111.549 -179.974 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.1 10.03 17.97 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.585 0.217 . . . . 0.0 111.585 -179.876 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.4 t -105.75 84.87 1.32 Allowed Pre-proline 0 C--N 1.332 -0.169 0 CA-C-O 120.749 0.309 . . . . 0.0 111.042 179.673 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -70.4 160.55 49.14 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.505 2.137 . . . . 0.0 112.342 179.866 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.6 t -64.62 138.52 58.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.203 -179.959 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.422 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.1 -5.61 36.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.478 179.668 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -96.08 135.39 22.74 Favored Pre-proline 0 C--O 1.234 0.271 0 CA-C-O 120.884 0.373 . . . . 0.0 111.654 -179.235 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -54.24 137.67 71.17 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.558 2.172 . . . . 0.0 111.596 179.433 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.8 t 64.41 11.93 6.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.468 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -107.59 132.38 53.34 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 120.769 0.318 . . . . 0.0 111.115 179.82 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.4 t -137.52 144.6 42.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.791 -179.997 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 46.7 t -72.1 122.28 20.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.89 0.376 . . . . 0.0 111.236 -179.789 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -113.36 140.03 48.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.532 179.593 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 57.2 m -103.13 126.39 50.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.971 -179.86 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.18 -9.96 59.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.537 179.798 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.52 ' CD2' ' CZ ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -144.28 -159.09 0.95 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.77 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.52 ' CZ ' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.69 -67.62 0.29 Allowed 'General case' 0 N--CA 1.444 -0.743 0 CA-C-O 120.896 0.379 . . . . 0.0 110.427 179.541 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -154.97 76.72 1.0 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.71 179.496 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.49 -65.39 0.16 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.525 -179.71 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -84.4 62.04 6.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.827 0.346 . . . . 0.0 111.039 -179.715 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 51.4 m -99.23 109.92 22.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.814 179.976 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -136.12 158.0 45.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 179.894 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.8 t -57.53 144.04 38.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.034 0.445 . . . . 0.0 111.11 -179.82 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -138.13 126.65 23.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.318 179.512 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.98 22.33 1.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.792 -179.686 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 58.55 109.08 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.165 0.507 . . . . 0.0 111.366 179.804 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.18 56.19 4.84 Favored Glycine 0 N--CA 1.451 -0.315 0 CA-C-N 115.425 -0.807 . . . . 0.0 112.53 179.875 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.15 75.61 7.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.893 0.377 . . . . 0.0 110.763 179.91 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.99 -17.38 56.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.527 -179.789 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -84.7 -42.7 15.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.783 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -150.07 73.22 9.38 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.815 179.945 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -80.67 164.15 20.93 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.644 2.229 . . . . 0.0 112.405 -179.925 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 49.9 m -81.41 -116.15 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.058 0 CA-C-O 121.141 0.495 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 p . . . . . 0 C--N 1.315 -0.905 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.985 -179.713 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.428 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.452 0 CA-C-O 120.702 0.287 . . . . 0.0 110.926 . . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.421 ' O ' ' HB2' ' A' ' 16' ' ' CYS . 1.7 t -94.25 168.84 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.612 179.801 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.9 mmt85 -79.1 -165.09 0.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.982 -179.3 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.0 tp -68.82 -37.55 79.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.191 -179.574 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -154.92 68.9 0.71 Allowed 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.155 179.854 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -139.97 161.73 36.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.639 179.701 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.9 m -56.59 150.9 14.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.459 ' O ' ' C ' ' A' ' 9' ' ' LEU . 30.5 p -107.33 -29.37 9.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.179 -179.826 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.459 ' C ' ' O ' ' A' ' 8' ' ' CYS . 1.6 pp 22.13 95.36 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.274 179.853 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 159.99 -19.37 0.24 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.969 -179.909 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 71.06 -55.11 0.66 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.792 0.296 . . . . 0.0 111.347 -179.801 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.29 38.32 0.97 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.825 0.345 . . . . 0.0 110.829 179.824 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.7 t -135.25 83.22 39.16 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.006 179.815 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.43 162.65 40.86 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.605 2.203 . . . . 0.0 112.395 -179.859 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.7 t -64.31 139.82 58.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.405 -179.975 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.428 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.33 -6.31 42.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.508 179.523 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -94.76 136.09 23.28 Favored Pre-proline 0 CA--C 1.531 0.231 0 CA-C-O 120.869 0.366 . . . . 0.0 111.659 -179.204 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -55.04 136.14 71.77 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.509 2.14 . . . . 0.0 111.617 179.476 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.7 t 64.48 12.59 7.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.955 -179.484 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -106.54 131.78 53.31 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.76 0.315 . . . . 0.0 110.921 179.76 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 t -137.06 148.7 46.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.893 -179.852 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 54.1 t -71.6 115.24 10.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.166 -179.862 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -106.22 140.77 38.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.664 179.662 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 69.5 m -103.39 120.9 41.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.27 -9.58 58.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.591 -179.894 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.493 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.29 -159.07 0.96 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.878 179.663 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.493 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -57.11 -67.45 0.32 Allowed 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 120.961 0.41 . . . . 0.0 110.354 179.576 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -155.14 74.17 0.9 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.756 179.597 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.56 -62.18 0.16 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.552 -179.686 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -84.54 58.0 4.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.867 0.365 . . . . 0.0 110.853 -179.732 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 62.2 m -98.6 101.69 13.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.899 179.881 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -135.83 160.56 38.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 -179.908 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 8.6 t -54.45 144.77 20.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.079 0.466 . . . . 0.0 111.183 -179.73 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.56 129.23 26.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.366 179.528 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.79 8.01 16.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.785 -179.646 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.49 110.81 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 121.142 0.496 . . . . 0.0 111.238 179.736 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -84.91 54.81 4.95 Favored Glycine 0 N--CA 1.452 -0.3 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.471 -179.987 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 76.0 p -90.57 76.11 6.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.863 0.363 . . . . 0.0 110.683 179.846 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.48 -18.17 57.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.465 -179.841 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.51 -32.49 23.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.746 179.789 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -150.16 64.66 6.92 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.834 179.883 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.98 150.77 30.24 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.65 2.233 . . . . 0.0 112.308 -179.848 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 40.0 m -81.73 -116.91 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.099 0 CA-C-O 121.156 0.503 . . . . 0.0 110.866 179.908 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.9 m . . . . . 0 C--N 1.315 -0.901 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.005 -179.745 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.41 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.758 0.314 . . . . 0.0 110.842 . . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.6 t -93.62 163.23 2.28 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.241 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.769 179.789 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -78.12 -162.52 0.35 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.255 -179.124 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.3 tp -67.85 -32.9 73.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.085 -179.566 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.81 47.33 0.55 Allowed 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.194 179.963 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -104.67 161.43 14.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.695 179.551 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.2 t -80.48 149.61 29.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.959 -179.93 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.443 ' O ' ' C ' ' A' ' 9' ' ' LEU . 5.9 p -109.37 -6.98 15.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.426 -179.933 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER 24.25 94.58 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.538 0.569 . . . . 0.0 112.538 179.946 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.6 -20.78 7.29 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.498 179.942 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 70.65 2.17 4.01 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 -179.869 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -95.05 23.25 5.79 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.651 0.262 . . . . 0.0 110.859 179.436 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.9 t -141.58 91.62 8.37 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.171 -179.602 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -68.76 158.02 59.48 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.388 2.058 . . . . 0.0 112.249 179.845 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.9 t -65.23 134.54 53.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.429 179.999 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.41 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.4 -5.65 37.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.245 179.215 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.81 138.31 23.6 Favored Pre-proline 0 C--O 1.234 0.267 0 CA-C-O 120.948 0.404 . . . . 0.0 111.54 -179.332 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -54.72 134.44 62.6 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.624 2.216 . . . . 0.0 112.035 179.551 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 34.9 t 63.86 13.73 7.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.282 -179.739 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -105.87 135.02 48.06 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.634 0.254 . . . . 0.0 110.728 179.622 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 t -139.72 148.62 42.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.897 0.38 . . . . 0.0 111.349 -179.611 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.57 138.16 44.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.094 179.695 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.441 ' CD1' ' HB3' ' A' ' 34' ' ' ARG . 0.8 OUTLIER -141.12 146.23 36.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.597 179.769 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 35.3 m -100.24 130.77 46.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.066 -179.875 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.8 -11.23 60.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.208 179.833 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.498 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.94 -155.54 0.63 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.828 179.701 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.498 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.98 -68.78 0.18 Allowed 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 120.974 0.416 . . . . 0.0 110.514 179.527 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -154.46 80.32 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.693 179.576 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -153.05 -70.29 0.15 Allowed 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 -179.825 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -84.28 65.52 8.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.243 -179.433 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 32.2 m -99.01 104.36 16.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.989 179.826 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.435 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 2.4 p90 -139.12 165.72 26.42 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.064 0.459 . . . . 0.0 111.366 -179.924 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.0 t -58.29 147.4 30.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.362 -179.845 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.441 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -139.91 134.16 31.22 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.387 179.023 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -85.86 15.42 4.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.796 -179.508 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.65 111.35 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.113 0.482 . . . . 0.0 111.138 179.971 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.78 54.55 3.39 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.596 179.96 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.2 p -89.97 76.1 7.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.872 0.368 . . . . 0.0 110.648 179.833 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.62 -16.91 52.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.58 -179.844 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 20.9 mtm -84.27 -41.79 16.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.89 0.376 . . . . 0.0 110.867 179.912 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -150.16 73.1 9.33 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 179.818 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -77.55 151.59 29.02 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.566 2.177 . . . . 0.0 112.322 -179.878 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 36.7 m -82.38 -118.1 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.075 0 CA-C-O 121.165 0.507 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.315 -0.895 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.005 -179.812 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.9 p . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.854 0.359 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.1 t -96.25 163.25 2.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.2 -179.785 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 19.9 mtt180 -78.62 -166.12 0.82 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.152 -179.509 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 tp -69.11 -24.81 64.16 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.73 -179.474 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.452 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 0.0 OUTLIER -156.33 40.2 0.36 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 120.906 0.384 . . . . 0.0 111.294 -179.914 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -105.17 159.44 15.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.634 179.546 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 24.3 p -73.91 148.66 42.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.841 179.993 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' A' ' 9' ' ' LEU . 17.1 p -109.41 -24.58 10.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.202 -179.879 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 8' ' ' CYS . 1.5 pp 25.87 93.1 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.298 -179.815 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 141.82 -28.27 2.28 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.425 179.912 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 74.54 -14.2 0.74 Allowed 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.187 0.439 . . . . 0.0 112.187 -179.957 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.56 -12.58 42.35 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 120.658 0.266 . . . . 0.0 111.125 -179.906 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.1 t -101.78 90.09 1.75 Allowed Pre-proline 0 C--N 1.332 -0.18 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.548 -179.643 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -68.21 158.66 56.53 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.386 2.058 . . . . 0.0 112.201 179.682 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.402 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 42.4 t -65.08 149.29 50.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.254 -179.975 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.5 m -74.45 1.72 11.16 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.833 -0.622 . . . . 0.0 112.317 -179.912 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -111.92 140.25 23.19 Favored Pre-proline 0 CA--C 1.532 0.272 0 CA-C-O 121.044 0.449 . . . . 0.0 111.988 -178.951 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -55.49 137.57 78.05 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.551 2.167 . . . . 0.0 111.471 179.24 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.5 t 64.97 10.93 6.65 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 -179.336 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.402 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -103.42 124.67 49.14 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-O 120.792 0.329 . . . . 0.0 110.769 179.568 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.7 t -130.54 163.47 27.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.763 -179.775 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.0 t -70.49 140.06 51.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.996 0.427 . . . . 0.0 111.208 -179.845 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -134.52 126.03 28.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.399 179.963 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 13.2 m -96.69 130.33 43.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.208 -179.676 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.57 -8.91 57.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.223 179.497 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.537 ' CD2' ' CZ ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -142.77 -157.0 0.73 Allowed 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 179.666 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.537 ' CZ ' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.61 -68.62 0.18 Allowed 'General case' 0 N--CA 1.445 -0.677 0 CA-C-O 120.881 0.372 . . . . 0.0 110.371 179.597 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.9 p-10 -155.91 80.69 1.0 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.685 179.573 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.1 -70.73 0.16 Allowed 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -179.685 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -83.9 67.21 9.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.911 0.386 . . . . 0.0 111.158 -179.509 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.9 m -99.09 113.13 25.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.99 179.944 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -133.87 165.38 25.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.149 179.965 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.9 t -56.01 141.19 40.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.105 0.478 . . . . 0.0 111.274 -179.844 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.8 mmm-85 -142.17 125.12 16.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.133 179.338 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.4 mtmp? -84.54 19.97 1.83 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.824 -179.687 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 58.97 109.37 0.02 OUTLIER 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.16 0.505 . . . . 0.0 111.252 179.796 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.35 55.67 4.38 Favored Glycine 0 N--CA 1.451 -0.329 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.555 179.919 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -89.97 75.16 7.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.855 0.36 . . . . 0.0 110.598 179.841 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.82 -17.87 57.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.438 -179.999 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 43.6 tpp -84.76 -42.04 15.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.865 179.876 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -150.33 73.87 9.07 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.154 -179.972 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -79.48 162.88 24.72 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.7 2.267 . . . . 0.0 112.287 -179.999 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 48.4 m -82.17 -117.82 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.09 0 CA-C-O 121.203 0.525 . . . . 0.0 110.877 179.916 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 C--N 1.317 -0.843 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.085 -179.758 . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.792 0.329 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.4 t -95.8 161.78 2.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.299 -179.756 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.7 mtt85 -78.22 -169.47 1.63 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.73 -179.463 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.9 tp -67.56 -30.21 69.78 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 120.804 0.335 . . . . 0.0 111.335 -179.508 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -154.89 69.87 0.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.228 179.884 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -140.59 163.11 33.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.658 179.584 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 40.1 t -72.54 153.7 41.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.456 ' O ' ' C ' ' A' ' 9' ' ' LEU . 25.5 p -108.63 1.05 21.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.499 179.914 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.9 OUTLIER 22.45 95.88 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 179.77 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 117.91 -24.88 8.68 Favored Glycine 0 C--N 1.33 0.215 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.643 179.749 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 74.45 -6.3 1.92 Allowed 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.78 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.12 34.94 1.49 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.912 0.387 . . . . 0.0 110.767 179.476 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.5 t -140.14 93.46 9.15 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.179 -179.8 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -62.98 152.38 79.67 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.325 2.017 . . . . 0.0 112.405 -179.895 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.7 t -65.65 146.23 55.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.57 -179.862 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 99.2 m -72.2 -10.34 59.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.376 179.476 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -99.41 135.26 20.72 Favored Pre-proline 0 C--O 1.234 0.246 0 CA-C-O 120.961 0.41 . . . . 0.0 112.016 -178.953 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -54.7 139.36 76.99 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.503 2.135 . . . . 0.0 111.511 179.207 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.5 t 66.15 7.64 4.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.253 -179.372 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -105.52 132.2 51.98 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 120.719 0.295 . . . . 0.0 110.839 179.555 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.6 t -139.26 147.14 41.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.048 -179.654 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 50.5 t -73.44 138.93 45.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.133 179.793 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.46 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -142.3 150.47 40.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.633 179.626 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 35.9 m -100.69 122.68 43.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.048 -179.872 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.44 -8.94 58.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.377 179.881 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.505 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -144.93 -155.97 0.66 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.968 179.656 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.505 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.17 -69.85 0.13 Allowed 'General case' 0 N--CA 1.445 -0.688 0 CA-C-O 120.86 0.362 . . . . 0.0 110.514 179.635 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -155.45 75.57 0.93 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.781 179.564 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.82 -59.35 0.14 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.572 -179.817 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.426 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 3.7 m-85 -85.1 55.47 3.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.114 -179.697 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.46 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 37.9 m -95.83 96.66 9.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.761 179.908 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -139.28 165.44 27.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.107 0.479 . . . . 0.0 111.708 -179.758 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 4.7 t -55.67 146.49 20.82 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.579 -179.795 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.459 ' CG ' ' CD1' ' A' ' 23' ' ' TYR . 4.8 mmm180 -138.67 128.24 24.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.164 179.293 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.49 10.02 9.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.932 -179.623 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.06 110.72 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 121.185 0.517 . . . . 0.0 111.221 179.808 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -83.08 55.63 5.04 Favored Glycine 0 N--CA 1.452 -0.277 0 CA-C-N 115.432 -0.804 . . . . 0.0 112.506 179.973 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.2 p -89.74 74.97 7.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.925 0.393 . . . . 0.0 110.678 179.897 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.86 -18.51 60.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.483 -179.954 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.63 -36.3 22.09 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.78 179.898 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -150.22 69.0 8.87 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -76.74 155.09 34.93 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.532 2.155 . . . . 0.0 112.204 179.917 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 41.7 m -81.9 -117.46 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.031 0 CA-C-O 121.217 0.532 . . . . 0.0 110.754 179.986 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.2 m . . . . . 0 C--N 1.317 -0.846 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.115 -179.68 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.449 0 CA-C-O 120.948 0.404 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.469 ' O ' ' HB2' ' A' ' 16' ' ' CYS . 0.3 OUTLIER -94.98 177.95 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.699 179.682 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -79.7 -163.56 0.54 Allowed 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.994 -179.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 40.0 tp -68.83 -39.69 79.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.392 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -155.85 77.69 0.97 Allowed 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 120.878 0.37 . . . . 0.0 111.849 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -140.51 174.31 10.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.561 179.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.89 143.02 51.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.881 0.372 . . . . 0.0 111.304 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' A' ' 9' ' ' LEU . 24.2 p -109.49 -2.57 17.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.226 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 8' ' ' CYS . 1.9 pp 22.32 99.52 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.48 -24.67 8.0 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.846 179.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 69.92 2.48 3.9 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.63 0.233 . . . . 0.0 111.63 -179.613 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.49 -10.28 35.48 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.694 0.283 . . . . 0.0 111.001 179.498 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.9 t -100.93 90.56 1.58 Allowed Pre-proline 0 C--N 1.333 -0.152 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.118 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -64.9 153.74 76.54 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.337 2.025 . . . . 0.0 112.089 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.447 ' HA ' HG11 ' A' ' 2' ' ' VAL . 6.1 t -66.11 136.0 55.36 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.474 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER -72.05 -7.15 47.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.08 179.126 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.87 133.28 32.53 Favored Pre-proline 0 C--O 1.234 0.244 0 CA-C-O 120.988 0.423 . . . . 0.0 111.346 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -53.74 134.9 60.69 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.575 2.183 . . . . 0.0 112.079 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 33.9 t 63.98 13.75 7.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.575 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -105.12 134.31 48.44 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 120.637 0.256 . . . . 0.0 110.901 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 t -137.7 146.39 43.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.254 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 5.4 t -73.05 131.54 42.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.199 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.439 ' CD1' ' HG3' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -131.44 148.01 52.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.484 179.602 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 40.2 m -99.66 128.12 45.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.129 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.17 -10.52 59.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.319 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.491 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.45 -154.76 0.56 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.888 179.72 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.491 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.65 -71.0 0.09 Allowed 'General case' 0 N--CA 1.445 -0.715 0 CA-C-O 120.912 0.387 . . . . 0.0 110.535 179.562 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -155.19 75.88 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.779 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -153.09 -61.57 0.15 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.856 0.36 . . . . 0.0 111.585 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -84.33 59.02 5.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.832 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 31.0 m -97.57 103.07 14.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -137.68 163.61 30.86 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 13.5 t -53.99 145.97 15.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.13 0.491 . . . . 0.0 111.384 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.439 ' HG3' ' CD1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -139.05 127.92 23.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.389 179.36 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.22 14.09 4.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.718 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.61 111.15 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 121.201 0.524 . . . . 0.0 111.205 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.16 54.51 3.53 Favored Glycine 0 N--CA 1.451 -0.308 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.581 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.6 p -91.28 77.11 5.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.934 0.397 . . . . 0.0 110.59 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.06 -17.13 50.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.61 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.8 ttm -84.03 -38.27 21.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.832 0.348 . . . . 0.0 110.784 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -150.26 69.41 8.93 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.758 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_endo -77.91 145.82 22.77 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.671 2.247 . . . . 0.0 112.533 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 36.6 m -82.29 -118.34 0.02 OUTLIER 'General case' 0 N--CA 1.435 -1.184 0 CA-C-O 121.285 0.564 . . . . 0.0 110.815 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -82.09 88.16 6.45 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.989 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.85 66.27 0.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 17.5 m . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.875 -179.997 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.474 0 CA-C-O 120.759 0.314 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.45 ' O ' ' HB2' ' A' ' 16' ' ' CYS . 0.8 OUTLIER -94.16 -179.35 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.578 179.522 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -79.73 -169.36 1.93 Allowed 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.075 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.6 tp -68.23 -33.94 75.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.229 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.69 71.84 0.83 Allowed 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.057 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -138.92 167.51 21.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.683 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.4 p -65.54 142.52 58.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.731 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.479 ' O ' ' C ' ' A' ' 9' ' ' LEU . 27.9 p -108.38 -20.34 13.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.318 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.538 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 1.9 pt? 18.18 98.9 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.257 0.623 . . . . 0.0 112.649 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.402 ' C ' ' H ' ' A' ' 12' ' ' GLN . . . 147.48 -28.58 1.49 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.42 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 74.89 -31.56 0.21 Allowed 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.402 ' H ' ' C ' ' A' ' 10' ' ' GLY . 0.0 OUTLIER -88.01 0.49 55.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.477 0.18 . . . . 0.0 111.42 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.1 t -105.29 86.41 1.64 Allowed Pre-proline 0 C--N 1.331 -0.209 0 CA-C-O 120.673 0.273 . . . . 0.0 111.261 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -69.7 158.35 57.33 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.467 2.112 . . . . 0.0 112.327 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.9 t -66.39 137.91 57.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.505 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.45 ' HB2' ' O ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER -72.77 -6.48 45.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.322 179.245 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.67 135.52 27.61 Favored Pre-proline 0 C--O 1.233 0.224 0 CA-C-O 120.814 0.34 . . . . 0.0 111.679 -179.278 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -55.26 135.88 70.97 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.488 2.125 . . . . 0.0 111.689 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.9 t 63.66 13.98 7.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.839 -179.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -107.12 128.24 54.21 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-O 120.903 0.382 . . . . 0.0 111.048 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.3 t -134.84 143.3 46.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.65 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 29.6 t -71.7 149.16 45.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.967 0.413 . . . . 0.0 111.274 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.441 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -153.83 151.25 29.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.587 179.666 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.3 m -104.25 138.7 40.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.022 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.58 -11.0 60.47 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.242 179.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.491 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.38 -155.22 0.59 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.844 179.745 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.491 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.96 -66.82 0.36 Allowed 'General case' 0 N--CA 1.445 -0.724 0 CA-C-O 120.924 0.392 . . . . 0.0 110.554 179.531 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -156.08 83.44 1.0 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.636 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -150.82 -77.37 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.709 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -84.39 71.53 10.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.891 0.377 . . . . 0.0 111.172 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.3 m -98.3 108.58 21.31 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.963 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -137.12 171.14 14.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.058 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 14.1 t -61.51 145.24 52.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.42 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.441 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 17.0 ttt85 -136.67 117.79 14.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.237 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 38.4 mtpt -84.91 22.17 1.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.905 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 58.47 109.01 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 121.262 0.553 . . . . 0.0 111.305 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -82.16 53.93 4.81 Favored Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.478 -0.783 . . . . 0.0 112.641 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.4 p -91.78 76.8 5.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.894 0.378 . . . . 0.0 110.595 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.58 -16.99 53.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.483 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -84.09 -38.55 20.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.862 0.363 . . . . 0.0 110.797 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -150.19 69.41 8.98 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -78.01 158.44 30.69 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.614 2.21 . . . . 0.0 112.42 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 50.5 m -81.51 -116.64 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.051 0 CA-C-O 121.154 0.502 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.6 m -81.01 107.71 14.06 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.053 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.7 tpp85 -155.15 91.45 1.35 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.77 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.818 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.418 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.449 0 CA-C-O 120.757 0.313 . . . . 0.0 110.925 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.1 t -94.04 164.62 2.06 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.274 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.638 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 -78.57 -166.38 0.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.925 -179.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 tp -68.66 -34.47 75.76 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.425 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.91 68.03 0.7 Allowed 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.181 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -140.32 158.31 44.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.599 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.6 t -60.14 151.55 26.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.608 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.457 ' O ' ' C ' ' A' ' 9' ' ' LEU . 20.9 p -107.66 -26.94 10.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.217 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.457 ' C ' ' O ' ' A' ' 8' ' ' CYS . 1.6 pp 23.7 93.07 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.285 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.6 -22.62 0.25 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.733 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 74.59 -51.7 0.68 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.675 0.238 . . . . 0.0 111.471 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -90.55 36.92 0.9 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.843 0.354 . . . . 0.0 111.067 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.5 t -136.98 83.2 28.87 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.036 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -72.76 163.75 37.54 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.607 2.205 . . . . 0.0 112.241 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.7 t -63.89 140.37 58.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.275 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.418 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.65 -4.15 29.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.764 179.718 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -96.87 141.95 23.82 Favored Pre-proline 0 C--O 1.233 0.228 0 CA-C-O 120.999 0.428 . . . . 0.0 111.755 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -56.0 134.93 67.12 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.644 2.229 . . . . 0.0 111.765 179.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 47.0 t 64.14 12.74 7.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.072 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -105.51 130.12 53.65 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 120.919 0.39 . . . . 0.0 110.863 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.0 t -136.02 150.0 49.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.729 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.4 t -71.21 107.54 4.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.977 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -98.81 140.88 32.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.818 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 78.2 m -107.94 118.49 36.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.661 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.06 -10.01 59.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.549 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.494 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.67 -160.05 1.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 179.604 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.494 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -57.12 -67.26 0.33 Allowed 'General case' 0 N--CA 1.445 -0.707 0 CA-C-O 120.967 0.413 . . . . 0.0 110.386 179.657 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -154.17 74.07 0.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.762 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.06 -60.83 0.16 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.766 0.317 . . . . 0.0 111.51 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.401 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 82.9 m-85 -85.22 54.23 3.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.012 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 83.3 m -97.33 98.94 10.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.856 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -137.1 165.49 25.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.135 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.5 t -57.15 139.36 52.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.061 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -141.56 123.67 15.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.396 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.12 24.65 1.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.676 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 59.74 110.3 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 121.255 0.55 . . . . 0.0 111.025 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -82.19 52.38 4.63 Favored Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 115.419 -0.809 . . . . 0.0 112.763 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 37.4 p -92.97 78.65 4.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.947 0.403 . . . . 0.0 110.399 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.52 -15.32 26.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.696 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.8 tpp -83.7 -38.35 21.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.784 0.326 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -150.47 68.15 8.38 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.167 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -76.21 158.87 37.32 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.661 2.24 . . . . 0.0 112.353 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 48.0 m -81.8 -116.88 0.02 OUTLIER 'General case' 0 N--CA 1.439 -1.008 0 CA-C-O 121.202 0.525 . . . . 0.0 110.865 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.7 m -81.32 93.93 6.65 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.055 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.91 82.6 1.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.809 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.516 0 CA-C-O 120.828 0.347 . . . . 0.0 111.054 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.429 ' CG1' ' HB2' ' A' ' 33' ' ' CYS . 1.4 p -95.51 179.33 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.727 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 23.7 mtt180 -79.29 -168.12 1.4 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.822 0.344 . . . . 0.0 111.487 -178.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 tp -68.05 -36.91 80.67 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.471 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -153.28 69.61 0.83 Allowed 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.243 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -140.21 169.11 18.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.505 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.4 t -71.06 138.53 49.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.519 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.473 ' O ' ' C ' ' A' ' 9' ' ' LEU . 28.0 p -108.97 -24.02 11.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.379 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.473 ' C ' ' O ' ' A' ' 8' ' ' CYS . 1.5 pp 23.96 91.52 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 122.875 0.47 . . . . 0.0 111.972 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 172.78 -23.91 0.08 OUTLIER Glycine 0 CA--C 1.519 0.287 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.942 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 75.26 -52.71 0.66 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.729 0.265 . . . . 0.0 111.583 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.23 9.25 20.78 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.549 0.203 . . . . 0.0 111.549 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.0 t -105.76 84.95 1.34 Allowed Pre-proline 0 C--N 1.332 -0.194 0 CA-C-O 120.668 0.27 . . . . 0.0 111.084 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -70.28 160.12 50.64 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.472 2.115 . . . . 0.0 112.257 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.4 t -64.18 141.69 58.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.229 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER -71.74 -6.89 44.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.465 179.666 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -88.69 142.44 30.82 Favored Pre-proline 0 C--O 1.233 0.186 0 CA-C-O 120.835 0.35 . . . . 0.0 111.519 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -55.24 133.95 61.02 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.604 2.203 . . . . 0.0 111.88 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 59.0 15.67 4.14 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.409 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -102.33 134.42 45.65 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.85 0.357 . . . . 0.0 110.801 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.6 t -135.49 149.19 49.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -72.27 145.69 47.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.011 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.427 ' CD2' ' HG3' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -141.6 142.31 33.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.593 179.849 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 27.8 m -103.06 133.15 48.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.18 -9.94 59.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.302 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.491 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.06 -156.35 0.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.746 179.732 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.491 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.04 -68.03 0.24 Allowed 'General case' 0 N--CA 1.446 -0.654 0 CA-C-O 120.936 0.398 . . . . 0.0 110.392 179.508 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -156.03 80.24 0.99 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.722 179.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.87 -71.72 0.16 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.753 0.311 . . . . 0.0 111.771 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -83.9 68.57 10.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.045 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.5 m -100.19 111.07 23.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -136.99 167.95 20.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.941 0.401 . . . . 0.0 111.027 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.429 ' HB2' ' CG1' ' A' ' 2' ' ' VAL . 29.3 t -55.39 144.07 26.65 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.601 -179.581 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.427 ' HG3' ' CD2' ' A' ' 23' ' ' TYR . 14.5 ttt180 -135.33 114.88 12.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.362 179.436 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.45 11.79 7.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.839 -179.591 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 60.49 110.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.19 0.519 . . . . 0.0 111.196 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -80.19 55.44 4.59 Favored Glycine 0 N--CA 1.45 -0.384 0 CA-C-N 115.497 -0.774 . . . . 0.0 112.592 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.6 p -89.49 75.31 7.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.94 0.4 . . . . 0.0 110.557 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.64 -18.7 60.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.486 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.2 mtt -84.95 -34.21 22.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.706 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -150.17 65.98 7.63 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.838 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -79.59 167.41 20.87 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.615 2.21 . . . . 0.0 112.202 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 36.4 m -82.3 -119.34 0.02 OUTLIER 'General case' 0 N--CA 1.436 -1.146 0 CA-C-O 121.233 0.54 . . . . 0.0 110.705 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.96 83.27 7.87 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.927 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.5 mtm-85 -154.32 92.65 1.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 35.8 m . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.168 -0.92 . . . . 0.0 110.885 179.98 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.429 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.502 0 CA-C-O 120.741 0.305 . . . . 0.0 110.843 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.41 ' CG1' ' HB3' ' A' ' 6' ' ' GLU . 2.6 t -94.07 160.75 2.67 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.311 0 CA-C-O 121.031 0.444 . . . . 0.0 111.106 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.63 -169.88 2.36 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.977 -179.589 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.6 tp -68.76 -22.15 64.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.502 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.465 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 0.0 OUTLIER -155.84 71.11 0.73 Allowed 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 120.97 0.414 . . . . 0.0 111.252 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.41 ' HB3' ' CG1' ' A' ' 2' ' ' VAL . 12.8 tp10 -140.28 156.91 46.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.696 179.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.05 150.47 28.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.235 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 9' ' ' LEU . 7.0 p -111.97 -18.59 12.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.208 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 8' ' ' CYS . 1.3 pp 26.74 93.75 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 122.994 0.518 . . . . 0.0 112.289 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 134.33 -22.99 3.69 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.433 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 72.29 -3.07 2.38 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.15 20.32 9.31 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.672 0.272 . . . . 0.0 110.965 179.466 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.402 ' CG1' HG21 ' A' ' 2' ' ' VAL . 13.6 t -142.04 87.87 9.55 Favored Pre-proline 0 C--N 1.331 -0.203 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.205 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -73.33 161.07 43.61 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.564 2.176 . . . . 0.0 112.444 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.1 t -64.7 133.73 52.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.309 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.429 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -73.25 -3.76 28.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.479 179.395 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.45 140.03 24.02 Favored Pre-proline 0 C--O 1.234 0.284 0 CA-C-O 120.911 0.386 . . . . 0.0 111.607 -179.405 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -55.62 134.72 65.66 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.62 2.213 . . . . 0.0 111.769 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.7 t 64.2 13.22 7.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.041 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -106.32 131.16 53.87 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-O 120.801 0.334 . . . . 0.0 110.921 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.8 t -136.2 141.79 44.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.942 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.7 t -73.54 109.74 7.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.068 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.456 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 0.4 OUTLIER -108.18 149.26 28.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.61 179.749 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 8.4 m -101.85 140.76 35.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.18 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.89 -10.44 59.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.104 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.498 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.09 -155.06 0.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.751 179.664 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.498 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.3 -66.71 0.39 Allowed 'General case' 0 N--CA 1.444 -0.746 0 CA-C-O 120.947 0.403 . . . . 0.0 110.428 179.551 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 21.9 p-10 -156.39 83.66 0.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.684 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -150.81 -79.91 0.12 Allowed 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.468 ' CD2' ' CE1' ' A' ' 32' ' ' TYR . 1.8 t80 -84.11 76.76 10.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 111.12 -179.544 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 12.3 m -101.29 115.08 29.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.158 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.491 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.6 OUTLIER -136.95 160.31 39.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.812 179.788 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.9 t -53.27 140.42 26.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.097 0.475 . . . . 0.0 111.356 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.456 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 2.9 ttt180 -135.87 127.02 28.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.418 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.24 18.68 2.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.898 -179.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 58.94 109.39 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 121.205 0.526 . . . . 0.0 111.276 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.59 56.11 4.46 Favored Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.521 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -89.95 75.49 7.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.934 0.397 . . . . 0.0 110.697 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.98 -17.36 56.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.495 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.1 ttm -84.65 -41.57 16.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.841 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -149.72 73.12 9.68 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.94 158.56 34.56 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.577 2.184 . . . . 0.0 112.363 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 40.0 m -82.21 -117.62 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.093 0 CA-C-O 121.274 0.559 . . . . 0.0 110.93 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.74 88.39 6.28 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.088 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.26 82.63 1.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.738 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.121 -0.942 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 14' ' ' PRO . 1.9 p . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.754 0.312 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.3 t -95.86 165.41 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.458 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.7 mtp180 -76.68 -163.09 0.3 Allowed 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.867 -179.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.9 tp -67.36 -33.33 75.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.232 -179.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -155.25 52.98 0.62 Allowed 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.42 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -105.33 -178.73 3.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.618 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.6 t -96.9 145.24 26.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.443 ' O ' ' C ' ' A' ' 9' ' ' LEU . 26.8 p -110.05 -22.48 11.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.191 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER 25.25 94.81 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.07 -21.31 5.25 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.532 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 70.93 0.99 3.59 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.77 22.89 6.74 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.6 0.238 . . . . 0.0 110.859 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.9 t -141.81 92.29 7.93 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.325 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.403 ' O ' ' HB2' ' A' ' 1' ' ' CYS . 37.9 Cg_endo -68.36 155.5 69.0 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.35 2.034 . . . . 0.0 112.313 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.5 t -66.87 142.06 57.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.446 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 66.4 m -72.13 -8.51 55.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.285 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -97.23 132.77 24.93 Favored Pre-proline 0 C--O 1.235 0.297 0 CA-C-O 120.923 0.392 . . . . 0.0 112.021 -178.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -54.87 139.0 78.51 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.539 2.159 . . . . 0.0 111.402 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.1 t 65.8 9.32 5.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.084 -179.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -104.59 128.18 52.52 Favored 'General case' 0 N--CA 1.457 -0.08 0 CA-C-O 120.831 0.348 . . . . 0.0 110.563 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.2 t -132.2 146.91 52.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.922 0.391 . . . . 0.0 111.044 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.8 t -73.31 144.71 46.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.273 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.446 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 0.3 OUTLIER -147.81 147.53 29.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.581 179.503 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.8 m -101.62 132.47 47.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.102 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.06 -9.63 58.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.351 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.501 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -144.53 -155.0 0.57 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.847 179.645 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.501 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.76 -69.88 0.13 Allowed 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 120.929 0.395 . . . . 0.0 110.359 179.526 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -155.75 79.45 1.0 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.624 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.27 -67.92 0.16 Allowed 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -84.23 65.04 8.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.833 0.349 . . . . 0.0 111.049 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 22.7 m -98.01 107.94 20.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.826 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -136.86 168.82 18.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.095 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.6 t -62.9 147.13 51.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.219 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.446 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 3.3 tmm_? -138.39 119.71 14.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.302 179.415 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.7 mtpp -84.38 17.76 2.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.81 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 60.07 110.74 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 121.21 0.529 . . . . 0.0 111.139 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.27 54.58 4.3 Favored Glycine 0 N--CA 1.45 -0.384 0 CA-C-N 115.437 -0.801 . . . . 0.0 112.649 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.89 76.1 6.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.934 0.397 . . . . 0.0 110.615 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.55 -17.57 55.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.498 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.58 -40.97 16.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.845 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 -150.08 71.35 9.38 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.945 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -81.4 157.92 19.58 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.646 2.231 . . . . 0.0 112.354 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 45.8 m -82.31 -118.1 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.095 0 CA-C-O 121.166 0.508 . . . . 0.0 110.717 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.47 89.09 6.6 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.104 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -155.1 86.24 1.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.921 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.944 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 3.1 p . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.998 0.428 . . . . 0.0 111.267 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -102.24 170.83 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.909 179.699 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.03 -179.89 7.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.987 -179.44 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.512 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 15.2 tp -71.84 -54.95 8.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -86.06 47.51 1.47 Allowed 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.404 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -142.3 167.08 22.95 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.054 0.454 . . . . 0.0 111.544 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.487 ' HA ' ' HA ' ' A' ' 32' ' ' TYR . 82.4 p -107.16 170.87 7.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.613 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 9' ' ' LEU . 19.5 p -120.78 -11.36 9.01 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.819 -179.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 8' ' ' CYS . 4.9 tp 25.85 84.72 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 133.19 -11.6 5.03 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.654 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.79 15.25 8.9 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.61 0.243 . . . . 0.0 111.432 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.35 -28.92 14.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.776 0.322 . . . . 0.0 111.007 179.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.5 t -102.81 89.47 1.86 Allowed Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.525 -179.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -67.94 157.19 62.89 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.362 2.041 . . . . 0.0 112.386 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.5 t -65.7 142.11 58.13 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.37 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 55.0 m -71.92 -8.33 53.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.424 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.402 ' HB3' ' CB ' ' A' ' 20' ' ' ALA . 13.4 t70 -88.13 137.23 31.3 Favored Pre-proline 0 C--O 1.234 0.287 0 CA-C-O 120.968 0.414 . . . . 0.0 111.937 -178.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -55.88 135.42 69.55 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.593 2.195 . . . . 0.0 111.66 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.2 t 64.37 12.81 7.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.123 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.402 ' CB ' ' HB3' ' A' ' 17' ' ' ASP . . . -104.12 105.42 15.58 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 120.967 0.413 . . . . 0.0 110.86 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 t -107.72 157.47 18.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.621 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.4 t -73.41 104.95 4.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.018 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -96.3 141.05 30.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.758 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 12.6 m -106.86 136.26 47.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.66 -11.05 60.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.222 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.5 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.75 -155.77 0.64 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.801 179.667 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.5 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.44 -66.04 0.51 Allowed 'General case' 0 N--CA 1.445 -0.695 0 CA-C-O 120.86 0.362 . . . . 0.0 110.484 179.536 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 -156.01 83.54 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.703 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -150.56 -76.69 0.14 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.644 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.4 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -84.47 69.09 10.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.969 0.414 . . . . 0.0 111.134 -179.576 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 38.0 m -97.66 108.98 21.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.487 ' HA ' ' HA ' ' A' ' 7' ' ' SER . 4.5 p90 -137.95 177.38 7.92 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.418 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.512 ' HB3' ' O ' ' A' ' 4' ' ' LEU . 53.8 t -51.23 128.14 21.32 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.603 -179.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -141.44 132.18 25.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.41 179.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -83.6 35.87 0.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 54.89 107.4 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 121.172 0.51 . . . . 0.0 111.398 179.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.25 55.58 1.92 Allowed Glycine 0 N--CA 1.452 -0.275 0 CA-C-N 115.641 -0.708 . . . . 0.0 112.59 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.43 77.77 5.06 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.89 0.376 . . . . 0.0 110.624 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.17 -16.73 47.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.551 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.0 mmt -84.43 -45.98 12.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.867 0.365 . . . . 0.0 110.901 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -150.12 74.59 9.12 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.96 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -84.2 163.0 13.32 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.77 2.314 . . . . 0.0 112.544 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 46.8 m -82.03 -117.44 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.05 0 CA-C-O 121.188 0.518 . . . . 0.0 110.77 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 m -82.03 129.65 34.85 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.067 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.3 tpt85 -154.94 74.03 0.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.87 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.132 -0.937 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.406 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.431 0 CA-C-O 120.657 0.265 . . . . 0.0 110.892 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 16.6 t -94.16 160.33 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.909 0.385 . . . . 0.0 110.989 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 25.3 mtt180 -79.51 -166.93 1.06 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.259 -179.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 tp -69.93 -24.08 63.31 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.374 -179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.446 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 0.0 OUTLIER -156.29 70.9 0.69 Allowed 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.001 0.429 . . . . 0.0 111.008 179.811 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -139.13 157.62 45.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.671 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 87.8 p -75.3 153.22 38.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.204 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.464 ' O ' ' C ' ' A' ' 9' ' ' LEU . 31.2 p -118.94 0.73 11.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.379 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.464 ' C ' ' O ' ' A' ' 8' ' ' CYS . 1.3 pt? 15.57 106.77 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.53 -17.03 34.02 Favored Glycine 0 CA--C 1.519 0.318 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.689 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 67.91 6.98 5.45 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.04 17.47 10.75 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.634 0.254 . . . . 0.0 110.874 179.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.4 t -141.6 87.96 9.96 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.065 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -67.9 158.84 55.55 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.469 2.113 . . . . 0.0 112.132 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.0 t -64.16 135.17 56.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.296 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.406 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -71.83 -6.43 41.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.312 179.304 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.03 143.33 37.24 Favored Pre-proline 0 CA--C 1.531 0.231 0 CA-C-O 120.843 0.354 . . . . 0.0 111.291 -179.565 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -54.75 133.33 56.75 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.509 2.14 . . . . 0.0 112.016 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 59.12 16.1 4.56 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.644 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -101.72 133.24 46.75 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 120.879 0.371 . . . . 0.0 110.947 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.0 t -134.79 141.45 46.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.978 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 45.6 t -73.18 118.11 15.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.045 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.449 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -115.1 155.74 26.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.927 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.4 m -108.89 132.5 53.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.942 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.05 -12.39 60.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.187 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.488 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -146.08 -156.86 0.75 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.888 179.684 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.488 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.61 -66.88 0.37 Allowed 'General case' 0 N--CA 1.446 -0.663 0 CA-C-O 120.857 0.36 . . . . 0.0 110.528 179.576 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -155.09 79.97 1.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.705 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.1 -70.76 0.16 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.487 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -84.51 64.54 8.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.958 0.409 . . . . 0.0 110.961 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 59.8 m -98.42 104.18 16.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.462 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 1.3 p90 -138.3 167.95 20.77 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.967 0.413 . . . . 0.0 111.269 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.5 t -56.15 139.73 46.45 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.492 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.449 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 70.3 ttt180 -139.3 114.54 9.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.293 179.122 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.46 35.58 0.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.64 -179.452 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 56.88 108.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.198 0.523 . . . . 0.0 111.321 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -72.49 54.74 1.6 Allowed Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.66 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.69 76.23 6.49 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.898 0.38 . . . . 0.0 110.561 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.46 -16.96 52.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.613 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 7.0 ttm -84.36 -41.55 16.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.846 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 62.9 m-20 -150.17 72.5 9.33 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -78.83 169.89 18.85 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.715 2.276 . . . . 0.0 112.245 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 36.9 m -82.59 -119.06 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.088 0 CA-C-O 121.266 0.555 . . . . 0.0 110.687 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.07 113.56 20.69 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.979 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 50.1 ttt85 -154.93 78.56 1.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.5 p . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.943 179.969 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.423 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.489 0 CA-C-O 120.722 0.296 . . . . 0.0 110.96 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.8 t -94.34 161.56 2.56 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.281 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.94 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.2 mtt180 -79.47 -166.78 1.03 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.029 -179.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 tp -69.05 -27.95 66.1 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.225 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -155.64 72.53 0.8 Allowed 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 121.056 0.455 . . . . 0.0 111.042 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -139.29 163.86 31.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.705 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.3 p -80.09 149.31 30.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.772 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.482 ' O ' ' C ' ' A' ' 9' ' ' LEU . 7.4 p -109.35 -24.02 11.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.268 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.482 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.3 OUTLIER 22.54 82.09 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.983 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 164.47 -25.03 0.18 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.742 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 77.34 -38.42 0.29 Allowed 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.22 34.76 0.8 Allowed 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 120.685 0.278 . . . . 0.0 111.346 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.9 t -141.35 82.3 14.61 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.003 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -72.64 162.02 42.42 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.5 2.134 . . . . 0.0 112.328 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.5 t -64.25 137.19 57.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.347 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.423 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.72 -5.46 37.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.542 179.37 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -90.55 143.42 29.13 Favored Pre-proline 0 C--O 1.233 0.201 0 CA-C-O 121.006 0.431 . . . . 0.0 111.757 -179.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -56.41 132.45 51.93 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.612 2.208 . . . . 0.0 111.81 179.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.1 t 62.51 16.32 8.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.066 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -105.69 130.68 53.66 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-O 120.786 0.326 . . . . 0.0 110.946 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.9 t -136.82 144.17 43.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.6 t -72.12 128.67 36.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.026 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.444 ' CD1' ' HG3' ' A' ' 34' ' ' ARG . 0.5 OUTLIER -128.7 146.65 50.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.77 179.783 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 7.5 m -100.11 140.37 34.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.0 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 -72.34 -10.56 59.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.322 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.491 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.31 -155.02 0.57 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.816 179.647 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.491 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.05 -65.91 0.52 Allowed 'General case' 0 N--CA 1.445 -0.725 0 CA-C-O 120.903 0.382 . . . . 0.0 110.577 179.622 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -156.8 84.29 0.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.706 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -149.9 -82.57 0.1 Allowed 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -84.98 80.4 9.3 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.884 0.373 . . . . 0.0 111.291 -179.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 9.9 m -102.49 114.66 29.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.065 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.478 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.5 OUTLIER -136.2 163.81 29.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.084 179.895 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.6 t -54.74 141.19 33.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.566 -179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.444 ' HG3' ' CD1' ' A' ' 23' ' ' TYR . 1.8 tmm_? -139.14 123.52 18.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.304 179.268 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.95 25.37 0.95 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.828 -179.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 56.88 108.29 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 121.15 0.5 . . . . 0.0 111.312 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.68 55.66 3.4 Favored Glycine 0 N--CA 1.452 -0.296 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.583 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.9 p -91.0 75.94 6.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.973 0.416 . . . . 0.0 110.645 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.59 -17.31 54.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.482 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 6.3 ttm -84.76 -38.89 19.09 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.929 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -150.56 71.71 9.0 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.077 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.74 155.82 39.63 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.596 2.198 . . . . 0.0 112.414 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 42.1 m -82.45 -117.98 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.082 0 CA-C-O 121.267 0.556 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.06 114.3 20.52 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.036 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 35.5 ttm-85 -155.13 43.96 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.927 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.439 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.463 0 CA-C-O 120.777 0.322 . . . . 0.0 110.898 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.8 t -94.14 164.47 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.787 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 17.8 mtt180 -78.71 -165.22 0.69 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.055 -179.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.0 tp -68.57 -40.95 80.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.032 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -155.63 65.82 0.61 Allowed 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -138.86 169.44 17.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.645 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 67.9 m -61.43 144.82 53.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.773 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.446 ' O ' ' C ' ' A' ' 9' ' ' LEU . 23.9 p -108.82 -23.67 11.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.162 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.446 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.3 OUTLIER 23.42 94.49 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 116.036 -0.529 . . . . 0.0 112.321 179.902 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 163.24 -23.69 0.19 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.775 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 74.03 -54.41 0.68 Allowed 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.598 0.199 . . . . 0.0 111.521 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.59 11.6 14.59 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.594 0.22 . . . . 0.0 111.594 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.3 t -104.93 86.39 1.49 Allowed Pre-proline 0 C--N 1.332 -0.183 0 CA-C-O 120.715 0.293 . . . . 0.0 111.052 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -69.42 161.22 46.74 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.469 2.112 . . . . 0.0 112.198 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.7 t -63.64 140.14 58.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.198 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.439 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -71.87 -5.99 38.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.536 179.772 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.67 138.26 21.81 Favored Pre-proline 0 C--O 1.234 0.25 0 CA-C-O 120.915 0.388 . . . . 0.0 111.554 -179.429 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -54.62 135.17 65.82 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.517 2.145 . . . . 0.0 111.864 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 37.0 t 64.15 13.53 7.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.222 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -106.12 133.88 50.13 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-O 120.726 0.298 . . . . 0.0 110.908 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.8 t -136.4 147.0 47.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 46.1 t -70.6 116.79 11.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.95 0.405 . . . . 0.0 111.206 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -108.76 145.71 34.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.572 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 63.4 m -108.9 126.81 53.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.79 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.402 ' HB3' ' NH1' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -72.71 -12.64 61.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.854 0.359 . . . . 0.0 111.514 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.486 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -146.21 -158.53 0.91 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.926 179.656 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.486 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.85 -65.93 0.53 Allowed 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 120.981 0.419 . . . . 0.0 110.549 179.598 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -155.1 78.42 1.03 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.728 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.06 -69.57 0.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.435 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -84.53 62.45 7.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.933 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 83.2 m -98.56 101.22 12.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.831 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -136.46 164.33 28.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.828 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 10.5 t -53.69 145.06 16.31 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.023 0.439 . . . . 0.0 111.251 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.1 ttt85 -139.26 119.64 13.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.343 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.2 mtpp -84.49 12.36 7.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.699 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 61.03 111.44 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 121.134 0.492 . . . . 0.0 111.18 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.29 54.07 3.55 Favored Glycine 0 N--CA 1.451 -0.325 0 CA-C-N 115.44 -0.8 . . . . 0.0 112.762 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 58.5 p -90.76 77.08 6.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.823 0.344 . . . . 0.0 110.569 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.15 -16.34 43.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.626 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.7 ttm -84.08 -36.8 22.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.785 0.326 . . . . 0.0 110.708 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -150.16 67.74 8.45 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.806 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.68 147.37 27.8 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.631 2.221 . . . . 0.0 112.421 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 39.6 m -82.07 -117.22 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.117 0 CA-C-O 121.188 0.518 . . . . 0.0 110.751 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.2 m -81.59 86.01 6.44 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.028 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -154.99 36.98 0.4 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.084 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.6 m . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.281 -0.866 . . . . 0.0 110.859 -179.962 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.435 0 CA-C-O 120.755 0.312 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.3 t -93.46 162.76 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.908 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.5 mtt85 -78.66 -164.72 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.201 -179.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 tp -68.55 -29.04 67.51 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.339 -179.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -156.66 75.72 0.86 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.215 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -139.47 162.01 36.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.629 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.1 m -76.47 145.51 39.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.989 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.469 ' O ' ' C ' ' A' ' 9' ' ' LEU . 25.4 p -112.35 4.35 17.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.499 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.469 ' C ' ' O ' ' A' ' 8' ' ' CYS . 1.2 pt? 15.01 104.36 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.585 0.754 . . . . 0.0 112.994 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.67 -18.11 22.64 Favored Glycine 0 CA--C 1.518 0.26 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.65 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 65.94 11.98 8.08 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.624 0.25 . . . . 0.0 111.418 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.65 -20.41 20.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.705 0.288 . . . . 0.0 110.871 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.8 t -101.34 90.68 1.78 Allowed Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.26 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -67.95 158.59 56.69 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.338 2.025 . . . . 0.0 112.05 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.401 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 18.0 t -65.13 134.97 54.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.262 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.99 -1.4 16.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.806 179.555 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -96.53 140.73 22.33 Favored Pre-proline 0 C--O 1.234 0.267 0 CA-C-O 120.967 0.413 . . . . 0.0 111.803 -179.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -55.74 135.13 67.99 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.643 2.229 . . . . 0.0 111.631 179.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.8 t 63.42 14.23 7.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.811 -179.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.401 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -104.05 125.49 50.43 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-O 120.886 0.374 . . . . 0.0 110.961 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.1 t -131.72 148.7 52.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.728 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.1 t -71.4 116.43 11.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.156 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -116.11 147.1 41.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.447 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 19.3 m -106.54 133.56 51.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.956 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -10.32 59.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.359 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.489 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.37 -156.55 0.71 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.907 179.601 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.489 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.4 -67.64 0.28 Allowed 'General case' 0 N--CA 1.445 -0.686 0 CA-C-O 120.847 0.356 . . . . 0.0 110.355 179.487 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -155.0 81.23 1.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.716 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.31 -73.2 0.16 Allowed 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -83.91 67.24 9.52 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.886 0.374 . . . . 0.0 111.054 -179.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 56.1 m -97.75 105.03 17.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -135.28 171.83 13.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.156 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.0 t -58.77 139.25 56.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.165 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.37 119.17 11.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.362 179.371 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.35 23.69 1.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.743 -179.664 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 58.73 109.8 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.157 0.503 . . . . 0.0 111.265 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -80.99 54.86 4.76 Favored Glycine 0 N--CA 1.451 -0.308 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.701 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 31.8 p -92.53 78.24 4.96 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-O 120.964 0.412 . . . . 0.0 110.43 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.56 -14.91 22.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.794 -179.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 18.5 ttm -83.1 -39.12 21.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.833 0.349 . . . . 0.0 110.87 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.5 m-20 -151.85 70.28 7.89 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.203 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -73.42 160.27 44.97 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.546 2.164 . . . . 0.0 112.13 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 48.4 m -81.76 -116.81 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.087 0 CA-C-O 121.181 0.515 . . . . 0.0 110.833 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.4 t -81.09 84.11 6.6 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.045 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.07 101.97 2.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.841 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.2 m . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.834 -179.955 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.417 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.445 0 CA-C-O 120.705 0.288 . . . . 0.0 110.994 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.0 t -93.55 163.4 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.741 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 -78.54 -165.04 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 -179.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.1 tp -68.5 -34.94 76.79 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.173 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.86 75.33 0.96 Allowed 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.051 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -138.75 165.12 27.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.579 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 52.4 p -75.96 145.21 40.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.98 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 9' ' ' LEU . 31.4 p -108.04 -23.85 11.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.013 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 8' ' ' CYS . 1.4 pp 23.53 94.73 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.12 0.568 . . . . 0.0 112.517 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 146.1 -27.47 1.72 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.466 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 76.48 -23.24 0.25 Allowed 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.401 ' NE2' HG21 ' A' ' 13' ' ' VAL . 0.9 OUTLIER -94.6 32.25 1.63 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.735 0.303 . . . . 0.0 111.049 179.609 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.401 HG21 ' NE2' ' A' ' 12' ' ' GLN . 24.8 t -140.53 83.23 15.19 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.977 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -70.85 158.23 56.1 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.452 2.101 . . . . 0.0 112.291 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.7 t -65.29 137.47 57.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.322 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.417 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.31 -6.29 42.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.36 179.422 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -91.72 141.33 25.55 Favored Pre-proline 0 C--O 1.234 0.24 0 CA-C-O 120.831 0.348 . . . . 0.0 111.696 -179.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -56.48 133.43 57.99 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.608 2.206 . . . . 0.0 111.729 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 45.2 t 63.65 14.33 8.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -105.3 132.03 52.0 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-O 120.753 0.311 . . . . 0.0 110.83 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.9 t -139.98 149.9 43.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.984 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 18.9 t -72.09 133.63 45.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.869 0.366 . . . . 0.0 111.029 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.405 ' CE2' ' O ' ' A' ' 24' ' ' CYS . 50.8 t80 -139.2 147.77 42.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.566 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 12.9 m -100.67 135.52 41.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.87 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.3 -10.69 60.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.249 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.5 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.87 -154.83 0.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.918 179.524 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.5 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.98 -67.56 0.28 Allowed 'General case' 0 N--CA 1.445 -0.702 0 CA-C-O 120.901 0.382 . . . . 0.0 110.477 179.559 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -155.4 82.79 1.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.699 179.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.65 -75.84 0.14 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.76 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.417 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 1.8 m-85 -84.1 70.03 10.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.147 -179.375 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 28.9 m -97.65 103.52 15.46 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.966 179.749 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 26.7 p90 -136.28 165.75 25.04 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.121 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.5 t -55.0 146.64 17.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.093 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.4 ptt85 -137.35 129.27 28.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.375 179.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.0 mtpp -84.37 10.46 10.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.633 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.89 110.26 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 121.235 0.54 . . . . 0.0 111.271 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -86.98 54.7 4.59 Favored Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.506 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -89.42 74.74 7.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.842 0.353 . . . . 0.0 110.782 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.23 -18.33 60.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.367 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.3 tpp -84.96 -40.61 16.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.899 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -149.99 71.84 9.46 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.934 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -82.02 164.62 17.59 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.621 2.214 . . . . 0.0 112.28 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 44.7 m -82.15 -117.74 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.068 0 CA-C-O 121.207 0.527 . . . . 0.0 110.731 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 m -82.05 122.48 27.88 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.06 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 -154.84 82.08 1.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.932 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.504 0 CA-C-O 120.67 0.272 . . . . 0.0 110.834 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.9 t -94.16 162.69 2.37 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.292 0 CA-C-O 120.877 0.37 . . . . 0.0 111.046 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -78.04 -163.14 0.39 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.989 -179.388 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.1 tp -66.88 -31.9 72.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.153 -179.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -155.23 81.26 1.06 Allowed 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.219 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -139.13 171.55 14.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.505 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 98.4 p -88.63 149.13 23.69 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.909 0.385 . . . . 0.0 111.205 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 9' ' ' LEU . 26.7 p -119.24 -2.84 10.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.293 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER 24.58 97.26 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.486 ' O ' ' CG ' ' A' ' 11' ' ' GLN . . . 111.86 -5.95 27.52 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.973 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.486 ' CG ' ' O ' ' A' ' 10' ' ' GLY . 3.4 pt20 57.51 18.99 4.91 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.312 0.245 . . . . 0.0 111.461 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' A' ' 10' ' ' GLY . 0.0 OUTLIER -89.74 -24.84 21.43 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 120.943 0.401 . . . . 0.0 110.643 179.526 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.9 t -101.75 92.36 2.84 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.425 -179.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -68.8 158.38 58.06 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.343 2.029 . . . . 0.0 112.18 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.5 t -65.19 133.03 50.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.416 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.92 -3.89 28.66 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.319 179.296 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.08 141.39 26.39 Favored Pre-proline 0 C--O 1.233 0.231 0 CA-C-O 120.913 0.387 . . . . 0.0 111.615 -179.315 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -55.83 134.26 62.99 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.616 2.21 . . . . 0.0 111.826 179.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.1 t 63.29 14.49 7.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -107.18 130.12 54.76 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-O 120.789 0.328 . . . . 0.0 110.944 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.8 t -136.3 142.71 43.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.798 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.4 t -74.05 125.27 27.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.071 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.461 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 0.3 OUTLIER -131.11 153.29 49.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.705 179.509 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 6.4 m -99.1 138.68 35.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.139 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.1 -9.15 58.42 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.361 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.533 ' CD2' ' CZ ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -142.99 -157.43 0.77 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.738 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.533 ' CZ ' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.98 -66.56 0.41 Allowed 'General case' 0 N--CA 1.446 -0.674 0 CA-C-O 120.872 0.368 . . . . 0.0 110.378 179.644 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -156.3 83.15 0.99 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.749 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.01 -80.26 0.11 Allowed 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.494 ' CD1' ' CE2' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -84.12 79.44 9.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.855 0.36 . . . . 0.0 111.232 -179.483 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 7.7 m -102.59 114.39 28.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.062 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.494 ' CE2' ' CD1' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -138.35 166.21 24.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.258 179.852 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.6 t -56.42 141.49 42.01 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.269 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.461 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -138.09 125.57 21.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.268 179.379 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.69 30.73 0.63 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.683 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 54.78 106.24 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 121.07 0.462 . . . . 0.0 111.546 179.577 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.86 57.37 3.08 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.514 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.1 75.89 7.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.913 0.387 . . . . 0.0 110.64 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.46 -17.13 53.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.483 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 48.6 ttm -84.3 -47.4 10.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.832 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 -150.31 78.26 7.88 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.141 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_endo -78.22 165.6 25.57 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.674 2.249 . . . . 0.0 112.242 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 44.8 m -82.24 -117.98 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.095 0 CA-C-O 121.184 0.516 . . . . 0.0 110.844 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 m -82.17 85.11 6.85 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.076 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.83 78.13 1.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.51 0 CA-C-O 120.77 0.319 . . . . 0.0 110.788 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 15.4 t -93.27 161.11 2.6 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.22 0 CA-C-O 120.931 0.396 . . . . 0.0 110.69 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 46.6 mtt180 -78.73 -165.16 0.68 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.119 -179.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.6 tp -68.9 -29.43 67.7 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.241 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 -154.75 72.46 0.85 Allowed 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.17 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -137.88 164.47 28.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.524 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 36.0 t -84.13 142.39 30.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.887 0.375 . . . . 0.0 111.227 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 9' ' ' LEU . 16.4 p -110.27 -24.54 10.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.188 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.6 OUTLIER 26.24 94.2 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.189 0.595 . . . . 0.0 112.366 -179.82 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.19 -27.91 0.89 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.464 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 74.81 -11.87 1.0 Allowed 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.47 -15.94 25.03 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.644 0.259 . . . . 0.0 111.077 179.614 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.1 t -104.66 85.37 1.15 Allowed Pre-proline 0 C--N 1.332 -0.186 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.411 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -72.18 164.01 36.95 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.482 2.122 . . . . 0.0 112.151 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.9 t -64.28 137.03 57.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.955 0.407 . . . . 0.0 111.106 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.17 -5.55 36.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.459 179.684 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -87.61 142.12 32.59 Favored Pre-proline 0 C--O 1.233 0.216 0 CA-C-O 120.865 0.364 . . . . 0.0 111.529 -179.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -56.23 133.34 57.45 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.465 2.11 . . . . 0.0 111.613 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.5 t 63.02 15.85 8.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -106.75 128.82 54.55 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.871 0.367 . . . . 0.0 111.166 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.6 t -133.57 156.49 47.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.335 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.84 138.72 50.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.968 0.413 . . . . 0.0 111.166 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -138.79 138.41 37.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.325 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 16.0 m -100.16 134.74 42.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.173 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.57 -10.05 59.32 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.266 179.694 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -144.58 -156.18 0.67 Allowed 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.636 179.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -67.99 0.24 Allowed 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 120.979 0.418 . . . . 0.0 110.327 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -156.21 81.69 0.99 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.791 179.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.63 -72.78 0.14 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.77 0.319 . . . . 0.0 111.773 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -83.88 69.74 10.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.906 0.384 . . . . 0.0 111.064 -179.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 19.3 m -99.42 110.46 22.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -135.4 175.16 9.84 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 12.6 t -57.13 139.36 52.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.134 0.492 . . . . 0.0 111.453 -179.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.18 112.3 8.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.605 179.265 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.94 30.09 0.53 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -179.11 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 55.97 108.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.316 0.579 . . . . 0.0 111.462 179.616 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.7 47.61 3.83 Favored Glycine 0 N--CA 1.452 -0.25 0 CA-C-N 115.452 -0.795 . . . . 0.0 112.481 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 37.7 p -91.63 77.88 5.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.352 . . . . 0.0 110.537 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.38 -17.59 44.76 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.417 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 13.8 ttm -84.29 -33.87 23.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.813 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -150.02 63.82 6.48 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.849 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -83.55 158.14 14.41 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.788 2.325 . . . . 0.0 112.39 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 48.7 m -82.29 -118.08 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.047 0 CA-C-O 121.269 0.557 . . . . 0.0 110.703 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 p -82.27 117.88 22.71 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.105 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.6 tpp85 -154.98 34.56 0.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.31 -0.852 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.799 0.333 . . . . 0.0 110.791 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.8 t -93.67 162.24 2.44 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.27 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.84 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -78.42 -168.38 1.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.042 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.5 tp -67.83 -26.03 65.86 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.218 -179.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.422 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 0.0 OUTLIER -156.64 74.63 0.82 Allowed 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.017 179.667 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -138.29 165.33 26.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.743 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.8 m -80.14 147.96 31.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.059 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.44 ' O ' ' C ' ' A' ' 9' ' ' LEU . 18.9 p -108.92 -11.36 15.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.366 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 8' ' ' CYS . 2.6 tt 24.56 94.59 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.13 0.572 . . . . 0.0 112.447 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.98 -20.79 7.12 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.553 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 68.14 7.23 5.73 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 111.697 0.258 . . . . 0.0 111.697 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.32 -17.56 22.48 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.613 0.244 . . . . 0.0 110.897 179.585 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.1 t -101.92 89.22 1.48 Allowed Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.491 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -68.49 159.0 55.32 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.303 2.002 . . . . 0.0 112.227 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.6 t -64.73 134.98 55.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.295 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.14 -6.33 41.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.24 179.243 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -85.05 143.35 39.68 Favored Pre-proline 0 C--O 1.233 0.237 0 CA-C-O 120.849 0.357 . . . . 0.0 111.391 -179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -55.09 133.05 55.94 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.612 2.208 . . . . 0.0 111.869 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 57.58 17.35 3.91 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.404 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -102.37 132.58 48.27 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.803 0.335 . . . . 0.0 110.95 179.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.3 t -136.15 146.84 47.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.788 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 16.2 t -73.82 137.76 44.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.015 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.457 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -140.87 153.79 45.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.686 179.704 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 13.2 m -102.86 137.16 41.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.088 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.49 -11.42 60.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.175 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.493 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.63 -154.73 0.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.762 179.695 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.493 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.82 -67.42 0.29 Allowed 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 120.848 0.356 . . . . 0.0 110.502 179.64 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -155.95 82.95 1.01 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.754 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.78 -74.99 0.14 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.728 0.299 . . . . 0.0 111.705 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.404 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 3.3 m-85 -84.58 70.64 10.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.091 -179.601 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 24.3 m -99.08 104.53 16.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.422 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -137.89 169.07 18.42 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.003 0.43 . . . . 0.0 111.223 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.5 t -52.98 144.1 15.7 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.873 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.457 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 0.4 OUTLIER -137.78 114.39 10.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.831 179.19 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -83.93 14.31 4.19 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.811 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 mp 61.47 111.2 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 121.162 0.506 . . . . 0.0 111.199 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.1 54.49 4.73 Favored Glycine 0 N--CA 1.45 -0.379 0 CA-C-N 115.391 -0.822 . . . . 0.0 112.652 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 35.4 p -89.54 74.93 7.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.862 0.363 . . . . 0.0 110.493 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.64 -18.47 59.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.406 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -84.7 -32.89 23.3 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.672 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -150.81 67.06 7.72 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.015 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.99 167.57 27.01 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.398 2.066 . . . . 0.0 112.097 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 36.2 m -82.87 -120.35 0.02 OUTLIER 'General case' 0 N--CA 1.434 -1.242 0 CA-C-O 121.281 0.562 . . . . 0.0 110.822 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.35 64.79 8.54 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.124 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.67 107.03 2.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.887 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.1 m . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.873 -179.971 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.409 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.465 0 CA-C-O 120.784 0.326 . . . . 0.0 110.798 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.409 ' CG1' ' HB3' ' A' ' 6' ' ' GLU . 8.4 t -94.23 161.64 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.753 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.9 mmt85 -79.26 -167.25 1.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.098 -179.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 tp -69.81 -23.14 63.28 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.628 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.451 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 0.0 OUTLIER -156.06 41.31 0.38 Allowed 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 120.886 0.374 . . . . 0.0 111.397 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.409 ' HB3' ' CG1' ' A' ' 2' ' ' VAL . 4.5 tm-20 -105.37 160.82 14.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.517 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.6 m -81.87 149.18 28.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.94 0.4 . . . . 0.0 111.31 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' A' ' 9' ' ' LEU . 23.4 p -111.69 -15.2 13.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.244 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.3 OUTLIER 26.36 95.03 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.67 -20.35 4.89 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.603 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 67.4 8.4 6.25 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.598 0.237 . . . . 0.0 111.562 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.61 -22.62 17.48 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.777 0.322 . . . . 0.0 110.749 179.496 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.2 t -101.83 94.59 4.57 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.351 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -74.17 162.24 39.12 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.352 2.035 . . . . 0.0 112.234 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.9 t -65.28 136.57 56.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.134 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.409 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.84 -3.11 23.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.666 179.633 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.74 144.32 29.24 Favored Pre-proline 0 C--O 1.234 0.242 0 CA-C-O 120.932 0.396 . . . . 0.0 111.514 -179.396 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -56.31 132.0 49.21 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.61 2.206 . . . . 0.0 111.883 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.8 t 62.81 15.9 8.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.046 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -104.34 128.08 52.09 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.855 0.36 . . . . 0.0 110.972 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.5 t -132.35 153.3 50.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.724 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.4 t -71.35 115.95 11.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.939 0.399 . . . . 0.0 111.305 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -108.93 141.11 41.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.484 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 35.4 m -107.34 132.74 52.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.78 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.68 -11.9 60.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.292 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.498 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -146.14 -157.1 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.966 179.637 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.498 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.59 -65.82 0.55 Allowed 'General case' 0 N--CA 1.446 -0.661 0 CA-C-O 120.949 0.404 . . . . 0.0 110.359 179.608 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -155.45 82.12 1.04 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.722 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.75 -75.17 0.14 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.731 0.3 . . . . 0.0 111.614 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -84.24 68.64 10.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.924 0.393 . . . . 0.0 111.107 -179.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 59.0 m -99.34 107.52 19.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -135.49 170.46 15.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.04 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.7 t -56.83 139.43 51.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.079 0.466 . . . . 0.0 111.23 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -140.07 116.87 10.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.211 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.6 21.74 1.45 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.877 -179.55 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 59.57 110.14 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 121.199 0.523 . . . . 0.0 111.16 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.91 54.99 3.86 Favored Glycine 0 N--CA 1.452 -0.253 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.663 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.38 75.21 6.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.92 0.391 . . . . 0.0 110.71 179.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.06 -17.78 58.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.471 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.9 -41.24 16.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.943 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -149.83 72.96 9.62 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.963 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -78.29 160.47 29.31 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.643 2.228 . . . . 0.0 112.393 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 40.7 m -82.13 -117.48 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.066 0 CA-C-O 121.207 0.527 . . . . 0.0 110.98 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.6 m -81.7 85.92 6.51 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.103 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.96 88.3 1.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.919 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.948 -179.966 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.868 0.366 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.404 ' CG2' ' HB3' ' A' ' 8' ' ' CYS . 17.0 t -96.13 162.22 2.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.294 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.8 mmt85 -76.34 -165.79 0.54 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.826 -179.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.5 tp -66.83 -32.48 73.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.488 -179.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -155.29 72.85 0.83 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.105 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -138.74 161.74 36.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.603 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 97.2 p -75.42 142.32 43.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.848 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.456 ' O ' ' C ' ' A' ' 9' ' ' LEU . 15.6 p -110.29 -25.81 9.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.211 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.8 OUTLIER 25.13 90.98 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.053 -0.521 . . . . 0.0 112.143 -179.848 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.92 -26.26 0.25 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.548 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.418 ' HG2' ' N ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER 77.12 -37.16 0.26 Allowed 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 111.83 0.308 . . . . 0.0 111.83 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.418 ' N ' ' HG2' ' A' ' 11' ' ' GLN . 0.2 OUTLIER -92.57 36.84 1.0 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.8 0.333 . . . . 0.0 111.25 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.7 t -140.93 85.22 12.55 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.013 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -69.59 156.74 62.99 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.492 2.128 . . . . 0.0 112.796 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.4 t -64.26 152.93 39.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.185 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.7 m -73.89 1.88 9.73 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.0 -0.546 . . . . 0.0 112.342 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -111.44 140.66 23.28 Favored Pre-proline 0 C--O 1.234 0.285 0 CA-C-O 121.145 0.498 . . . . 0.0 111.977 -179.006 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -55.36 137.05 76.31 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.616 2.21 . . . . 0.0 111.541 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.9 t 64.88 11.64 7.13 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 -179.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -103.17 114.94 29.63 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.924 0.392 . . . . 0.0 110.887 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.3 t -115.8 155.56 27.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.0 t -72.36 100.51 2.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.009 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -86.89 131.98 33.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.805 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 56.2 m -99.81 128.73 45.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.24 -9.88 59.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.343 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.489 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -144.6 -156.56 0.71 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.818 179.737 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.489 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.03 -70.11 0.12 Allowed 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 120.935 0.397 . . . . 0.0 110.4 179.503 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -154.93 76.42 1.0 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.67 179.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.46 -66.32 0.16 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.639 -179.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -83.82 65.75 8.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.958 0.409 . . . . 0.0 111.122 -179.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 27.8 m -101.56 116.75 33.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.076 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -137.04 167.77 20.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.851 179.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.5 t -55.71 131.58 46.97 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.924 0.392 . . . . 0.0 110.993 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.56 124.47 17.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.418 179.543 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.88 31.45 0.54 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.719 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 57.95 109.24 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 121.162 0.506 . . . . 0.0 111.304 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.11 55.07 2.71 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.552 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.66 77.05 5.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.872 0.367 . . . . 0.0 110.609 179.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.21 -16.72 47.94 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.514 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 14.0 ttm -84.25 -45.63 12.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.881 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -150.1 75.37 8.97 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.066 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -80.69 162.4 21.53 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.733 2.289 . . . . 0.0 112.443 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 50.7 m -82.24 -117.84 0.02 OUTLIER 'General case' 0 N--CA 1.436 -1.139 0 CA-C-O 121.228 0.537 . . . . 0.0 110.849 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.7 m -82.07 110.84 17.67 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.187 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.0 ttm-85 -155.14 70.9 0.77 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.773 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.914 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.414 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.485 0 CA-C-O 120.679 0.276 . . . . 0.0 110.824 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.4 t -93.49 161.15 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.778 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -79.61 -167.52 1.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.124 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.8 tp -69.13 -26.97 65.16 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.142 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -156.1 71.7 0.74 Allowed 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 179.68 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -138.78 162.31 35.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.677 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 62.5 p -78.12 144.77 36.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.895 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 9' ' ' LEU . 29.3 p -110.64 -20.59 12.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.277 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.4 OUTLIER 25.26 95.2 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 143.94 -28.26 2.0 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.463 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.13 -7.18 1.56 Allowed 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.22 -12.89 25.51 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-O 120.67 0.272 . . . . 0.0 110.959 179.504 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.4 t -103.35 87.16 1.27 Allowed Pre-proline 0 C--O 1.233 0.191 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.373 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.29 161.75 44.87 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.446 2.097 . . . . 0.0 112.238 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.9 t -64.67 135.07 55.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.963 0.411 . . . . 0.0 111.285 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.414 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.85 -4.72 33.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.403 179.393 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.27 138.95 22.89 Favored Pre-proline 0 C--O 1.234 0.252 0 CA-C-O 120.95 0.405 . . . . 0.0 111.69 -179.299 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -55.01 136.26 72.2 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.559 2.173 . . . . 0.0 111.728 179.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.5 t 64.19 12.67 7.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 -179.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -108.74 132.31 54.09 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-O 120.845 0.355 . . . . 0.0 111.133 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.6 t -138.33 144.13 40.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.445 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.4 t -71.67 147.12 47.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.963 0.411 . . . . 0.0 111.109 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.463 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -156.5 153.76 29.27 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.716 179.717 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 33.5 m -99.55 125.55 45.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.214 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.64 -8.65 56.84 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.495 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.496 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -144.08 -155.49 0.61 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.926 179.823 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.496 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.59 -71.45 0.09 Allowed 'General case' 0 N--CA 1.445 -0.701 0 CA-C-O 120.955 0.407 . . . . 0.0 110.488 179.639 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.7 p-10 -155.5 74.06 0.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.698 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.99 -58.83 0.14 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.749 0.309 . . . . 0.0 111.696 -179.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.414 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 16.4 m-85 -84.52 57.84 4.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.003 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.463 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 25.1 m -96.66 99.38 10.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 16.3 p90 -138.77 175.97 9.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.426 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.3 t -59.88 143.95 50.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.426 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.451 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -138.84 118.97 13.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.973 179.375 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.42 31.85 0.51 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.917 -179.403 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 55.5 107.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.134 0.492 . . . . 0.0 111.465 179.585 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.45 56.76 3.74 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.503 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.52 75.74 6.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.89 0.376 . . . . 0.0 110.636 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.7 -16.99 53.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.443 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 5.9 ttm -84.37 -45.51 12.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.831 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -150.45 76.67 8.32 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.088 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -78.76 165.9 24.13 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.634 2.222 . . . . 0.0 112.391 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 50.3 m -82.19 -117.66 0.02 OUTLIER 'General case' 0 N--CA 1.439 -1.023 0 CA-C-O 121.153 0.501 . . . . 0.0 110.78 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.94 122.05 27.27 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.128 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 -155.17 84.06 1.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.165 -0.921 . . . . 0.0 110.92 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 2.4 p . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.886 0.374 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.459 HG23 ' CG1' ' A' ' 13' ' ' VAL . 0.9 OUTLIER -100.35 168.53 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.123 -179.91 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.65 -176.88 6.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.494 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.536 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 17.9 tp -72.55 -52.85 13.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.859 0.361 . . . . 0.0 111.134 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -92.99 21.33 5.84 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.247 -0.433 . . . . 0.0 112.039 -179.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -108.32 162.87 13.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.175 0.512 . . . . 0.0 111.889 -179.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.435 ' HA ' ' HA ' ' A' ' 32' ' ' TYR . 1.6 m -100.71 159.56 15.08 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.632 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.416 ' O ' ' C ' ' A' ' 9' ' ' LEU . 20.5 p -112.16 -23.0 10.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.46 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER 29.44 89.13 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.945 -179.69 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 141.02 -20.71 2.66 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.856 -0.687 . . . . 0.0 112.536 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 70.03 4.52 4.85 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.88 -19.32 17.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.721 0.296 . . . . 0.0 110.952 179.408 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.459 ' CG1' HG23 ' A' ' 2' ' ' VAL . 0.8 OUTLIER -102.92 94.56 5.46 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.299 -179.669 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -73.47 155.47 50.45 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.4 2.067 . . . . 0.0 112.838 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.9 t -66.97 144.55 56.14 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.588 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.8 m -72.88 -10.76 60.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.363 179.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -84.57 134.84 41.6 Favored Pre-proline 0 C--N 1.331 -0.211 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -178.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -56.51 135.24 69.23 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.522 2.148 . . . . 0.0 111.223 179.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 44.1 t 63.33 15.03 8.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.61 -179.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -104.82 110.22 22.49 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-O 120.867 0.365 . . . . 0.0 110.733 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 t -112.5 152.31 28.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.61 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.0 t -73.07 121.08 19.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.407 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 10.5 t80 -112.21 139.45 47.74 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.722 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 60.8 m -97.69 118.03 33.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.67 -6.95 49.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.704 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.496 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -143.54 -157.89 0.82 Allowed 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 179.702 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.496 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.2 -70.82 0.1 Allowed 'General case' 0 N--CA 1.445 -0.676 0 CA-C-O 120.958 0.409 . . . . 0.0 110.487 179.683 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -155.39 68.22 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.64 179.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -153.27 -50.57 0.1 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.585 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -85.39 53.7 2.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.821 0.343 . . . . 0.0 111.11 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 29.3 m -97.83 104.73 16.79 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.435 ' HA ' ' HA ' ' A' ' 7' ' ' SER . 4.2 p90 -136.5 174.5 10.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.519 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.536 ' HB3' ' O ' ' A' ' 4' ' ' LEU . 43.2 t -52.61 131.78 34.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.528 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -137.73 137.18 38.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.188 179.028 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -83.6 33.12 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -179.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 51.93 104.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.174 0.511 . . . . 0.0 111.696 179.349 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.63 58.18 2.97 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.447 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -89.31 74.89 7.81 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.896 0.379 . . . . 0.0 110.677 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.71 -17.68 56.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.397 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.4 mmt -84.63 -46.64 11.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.765 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -150.36 78.3 7.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.199 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -78.53 165.47 25.08 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.627 2.218 . . . . 0.0 111.956 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 47.4 m -82.56 -119.46 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.115 0 CA-C-O 121.336 0.589 . . . . 0.0 110.755 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.66 119.18 24.44 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.035 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.19 107.73 2.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.957 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.407 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.504 0 CA-C-O 120.73 0.3 . . . . 0.0 110.916 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.8 t -92.96 165.8 1.86 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.266 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.545 179.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.08 -171.32 2.28 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.058 -179.217 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 27.3 tp -67.77 -35.46 78.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.843 0.354 . . . . 0.0 111.218 -179.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.07 66.74 0.72 Allowed 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.142 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -139.48 160.05 40.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.719 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.0 p -62.31 147.67 47.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.803 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.463 ' O ' ' C ' ' A' ' 9' ' ' LEU . 30.0 p -107.6 -25.73 11.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.212 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.463 ' C ' ' O ' ' A' ' 8' ' ' CYS . 8.0 tt 22.59 93.47 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.327 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.05 -24.1 0.28 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.649 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 75.32 -47.92 0.61 Allowed 'General case' 0 N--CA 1.464 0.263 0 O-C-N 122.804 -0.233 . . . . 0.0 111.503 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -90.35 36.83 0.89 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.857 0.361 . . . . 0.0 111.125 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.7 t -137.55 83.47 25.3 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.998 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -72.16 161.14 45.46 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.563 2.175 . . . . 0.0 112.457 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.4 t -64.42 138.25 58.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.304 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.407 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.83 -3.93 28.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.649 179.656 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.14 138.03 21.23 Favored Pre-proline 0 C--O 1.234 0.285 0 CA-C-O 120.917 0.389 . . . . 0.0 111.66 -179.245 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -55.1 136.18 72.03 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.602 2.201 . . . . 0.0 111.683 179.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 46.5 t 63.86 13.35 7.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.827 -179.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -106.85 132.34 52.92 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-O 120.856 0.36 . . . . 0.0 110.898 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.8 t -138.87 145.83 40.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.9 t -72.38 115.29 11.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.073 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.428 ' CD1' ' HG3' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -112.9 149.28 33.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.583 179.802 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 34.7 m -105.43 132.51 51.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.892 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.79 -11.67 60.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.308 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.52 ' CD2' ' CZ ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -145.14 -158.72 0.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 179.697 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.52 ' CZ ' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.6 -65.46 0.61 Allowed 'General case' 0 N--CA 1.444 -0.762 0 CA-C-O 120.837 0.351 . . . . 0.0 110.429 179.607 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -154.38 81.85 1.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.759 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.56 -74.98 0.13 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.698 0.285 . . . . 0.0 111.684 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -83.71 68.27 9.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.998 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 56.5 m -99.06 105.12 17.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.96 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -137.04 164.43 28.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.021 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.6 t -57.06 144.03 36.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.195 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.428 ' HG3' ' CD1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -138.77 130.11 27.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.317 179.622 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.81 20.31 1.84 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.826 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 58.44 109.07 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.109 0.481 . . . . 0.0 111.339 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -84.83 50.69 4.44 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.601 -0.727 . . . . 0.0 112.585 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 62.1 p -91.31 77.0 5.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 0.0 110.576 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.29 -17.37 53.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.488 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 6.7 mtp -84.34 -34.97 23.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.897 0.38 . . . . 0.0 110.774 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -150.3 65.84 7.47 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.95 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -79.97 157.58 23.86 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.751 2.3 . . . . 0.0 112.38 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 50.7 m -81.98 -117.69 0.02 OUTLIER 'General case' 0 N--CA 1.439 -0.996 0 CA-C-O 121.268 0.556 . . . . 0.0 110.802 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.08 111.89 18.63 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.003 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.1 tpp85 -154.92 88.51 1.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.954 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.862 -179.865 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.432 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 120.823 0.344 . . . . 0.0 110.932 . . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.6 t -95.56 161.74 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.748 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 72.9 mtt180 -79.33 -171.88 2.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.113 -179.317 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 tp -67.92 -28.76 67.76 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.346 -179.532 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -155.31 65.41 0.63 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 121.074 0.464 . . . . 0.0 111.176 179.902 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -140.76 156.66 46.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.677 179.73 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.2 t -63.54 148.34 49.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.698 179.834 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.479 ' O ' ' C ' ' A' ' 9' ' ' LEU . 29.9 p -109.48 -24.3 11.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.33 -179.742 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.479 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.4 OUTLIER 22.91 91.42 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 122.757 0.423 . . . . 0.0 112.078 -179.866 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.441 ' O ' ' HB2' ' A' ' 11' ' ' GLN . . . 161.52 -19.92 0.19 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.879 -179.82 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.441 ' HB2' ' O ' ' A' ' 10' ' ' GLY . 9.4 mm-40 70.33 -47.14 0.62 Allowed 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -85.41 5.36 31.3 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 -179.628 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.4 t -106.73 83.54 1.28 Allowed Pre-proline 0 C--N 1.331 -0.203 0 CA-C-O 120.758 0.313 . . . . 0.0 111.205 179.94 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -72.17 163.12 39.7 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.474 2.116 . . . . 0.0 112.124 179.783 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.2 t -63.86 140.67 58.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.044 0.45 . . . . 0.0 111.145 -179.91 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.432 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -71.55 -7.49 48.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.358 179.773 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.43 139.95 36.13 Favored Pre-proline 0 CA--C 1.531 0.212 0 CA-C-O 120.842 0.353 . . . . 0.0 111.311 -179.506 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -55.54 132.05 49.82 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.435 2.09 . . . . 0.0 111.9 179.575 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 34.0 t 62.62 16.87 9.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.18 -179.634 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -104.95 136.86 43.65 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.775 0.322 . . . . 0.0 110.945 179.789 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.0 t -136.95 150.77 48.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.929 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 18.8 t -72.38 121.24 19.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.241 -179.838 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -107.64 138.42 43.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.615 179.615 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.6 m -103.69 132.9 49.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.958 -179.829 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.6 -11.34 60.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.253 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.514 ' CD2' ' CZ ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -144.81 -158.69 0.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 179.681 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.514 ' CZ ' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.57 -65.68 0.57 Allowed 'General case' 0 N--CA 1.446 -0.632 0 CA-C-O 120.859 0.362 . . . . 0.0 110.322 179.511 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -155.44 81.47 1.04 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.657 179.566 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.39 -75.12 0.14 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.739 0.304 . . . . 0.0 111.505 -179.707 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -83.74 71.77 10.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.857 0.36 . . . . 0.0 110.941 -179.599 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 38.3 m -102.24 115.21 30.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.126 -179.858 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -137.27 162.77 32.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.54 179.569 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 9.9 t -52.29 139.87 23.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.926 0.393 . . . . 0.0 111.259 -179.848 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.32 127.52 26.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.38 179.625 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.9 mtmt -84.26 12.32 6.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.801 -179.612 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.87 111.74 0.02 OUTLIER 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 121.218 0.532 . . . . 0.0 111.148 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.82 54.02 3.36 Favored Glycine 0 CA--C 1.518 0.219 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.655 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.9 p -91.07 76.88 6.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.86 0.362 . . . . 0.0 110.56 179.827 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.33 -17.28 53.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.453 -179.741 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -83.92 -36.6 23.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.872 0.368 . . . . 0.0 110.866 179.898 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -150.36 67.72 8.3 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -77.77 140.93 18.93 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.611 2.207 . . . . 0.0 112.582 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 37.6 m -82.29 -118.18 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.071 0 CA-C-O 121.179 0.514 . . . . 0.0 110.856 179.909 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.21 78.04 8.93 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.004 -179.85 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -154.85 56.32 0.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.87 -179.863 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.41 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.698 0.285 . . . . 0.0 110.806 . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.0 t -92.97 161.89 2.48 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.273 0 CA-C-O 120.85 0.357 . . . . 0.0 110.782 179.84 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 57.4 mtt180 -78.82 -167.18 1.04 Allowed 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.102 -179.261 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.9 tp -69.58 -27.4 65.08 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.192 -179.803 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -155.5 69.59 0.7 Allowed 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.907 179.821 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -138.47 162.18 35.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.695 179.874 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.0 p -78.85 154.4 29.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 -179.893 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 9' ' ' LEU . 2.6 p -112.32 -7.81 13.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.343 179.745 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.3 OUTLIER 24.48 95.21 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -179.994 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 127.67 -24.23 5.23 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.577 179.842 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.55 -5.48 1.98 Allowed 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -179.932 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -94.5 25.47 3.92 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.78 0.324 . . . . 0.0 111.017 179.596 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.5 t -141.31 88.27 10.09 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.25 -179.747 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -68.23 159.82 51.56 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.454 2.103 . . . . 0.0 112.12 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.8 t -63.96 133.67 53.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.268 -179.825 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.41 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.15 -5.69 37.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.215 179.125 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -91.62 136.69 26.3 Favored Pre-proline 0 C--O 1.234 0.282 0 CA-C-O 120.873 0.368 . . . . 0.0 111.502 -179.422 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -54.58 136.13 69.21 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.57 2.18 . . . . 0.0 111.804 179.458 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.5 t 64.71 12.26 7.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.096 -179.438 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -108.96 134.74 51.21 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 120.75 0.309 . . . . 0.0 110.918 179.817 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.6 t -139.71 145.39 38.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.871 0.367 . . . . 0.0 111.078 -179.933 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.1 t -73.8 130.49 40.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.962 179.829 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.448 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 0.5 OUTLIER -132.35 148.79 52.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.78 179.659 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 21.5 m -103.79 132.47 50.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.959 -179.913 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -73.27 -10.44 59.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.346 179.836 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.499 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.6 -155.75 0.64 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.8 179.645 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.499 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.98 -68.44 0.2 Allowed 'General case' 0 N--CA 1.446 -0.659 0 CA-C-O 120.914 0.388 . . . . 0.0 110.308 179.533 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -154.87 81.53 1.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.728 179.584 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.76 -72.68 0.15 Allowed 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 121.0 -0.28 . . . . 0.0 111.71 -179.66 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.95 66.0 8.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.932 0.396 . . . . 0.0 111.049 -179.61 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 39.9 m -97.47 103.94 15.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.684 179.806 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.453 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 1.3 p90 -137.71 163.94 30.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.936 0.398 . . . . 0.0 111.465 -179.717 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.8 t -56.44 145.28 28.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.285 -179.729 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.448 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 2.1 ttt180 -137.4 128.3 27.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.542 179.553 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? -84.43 14.75 4.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.778 -179.729 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.82 110.94 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 121.167 0.508 . . . . 0.0 111.056 179.833 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.87 54.42 3.79 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.712 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 39.5 p -91.38 76.39 5.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.929 0.395 . . . . 0.0 110.621 179.73 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.47 -17.68 55.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.544 -179.793 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.9 mtp -84.34 -35.19 23.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.745 179.956 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 16.8 m-20 -150.04 66.9 8.2 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.86 147.36 30.74 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.56 2.173 . . . . 0.0 112.443 -179.936 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 39.4 m -82.01 -117.41 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.092 0 CA-C-O 121.236 0.541 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.68 97.56 7.97 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.042 -179.791 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -154.66 42.68 0.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.709 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.809 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.9 p . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.702 0.286 . . . . 0.0 111.321 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.415 ' CG1' ' HB3' ' A' ' 6' ' ' GLU . 5.6 t -95.54 162.69 2.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 -179.779 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -78.64 -166.42 0.87 Allowed 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.069 -179.588 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.3 tp -69.51 -25.64 64.14 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.615 -179.55 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.4 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 0.0 OUTLIER -155.13 70.42 0.75 Allowed 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 120.892 0.377 . . . . 0.0 111.319 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.415 ' HB3' ' CG1' ' A' ' 2' ' ' VAL . 8.8 tp10 -140.08 158.96 43.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.564 179.576 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.6 152.38 31.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.258 -179.623 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 9' ' ' LEU . 31.2 p -112.95 -11.62 13.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.366 179.863 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER 27.07 95.73 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.083 0.553 . . . . 0.0 112.384 -179.924 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.461 ' O ' ' CG ' ' A' ' 11' ' ' GLN . . . 120.61 -5.35 11.73 Favored Glycine 0 C--N 1.33 0.22 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.62 -179.931 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.461 ' CG ' ' O ' ' A' ' 10' ' ' GLY . 7.8 pt20 51.7 20.65 1.16 Allowed 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -100.51 -23.75 14.63 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.859 0.361 . . . . 0.0 110.754 179.304 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.8 t -99.77 100.89 12.06 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.553 -179.79 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -75.72 160.81 37.42 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.266 1.977 . . . . 0.0 112.14 179.592 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.3 t -65.29 144.96 56.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.299 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 66.2 m -72.52 -5.18 35.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.854 -179.933 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -99.13 139.68 21.16 Favored Pre-proline 0 C--O 1.233 0.229 0 CA-C-O 121.105 0.479 . . . . 0.0 111.995 -178.881 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -55.65 137.76 79.06 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.476 2.117 . . . . 0.0 111.515 179.204 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.8 t 65.17 10.26 6.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.052 -179.201 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -105.48 122.33 45.77 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 120.991 0.424 . . . . 0.0 110.818 179.743 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 t -126.64 161.0 29.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.678 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.3 t -71.81 107.36 4.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.239 -179.614 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -95.42 136.42 35.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.586 179.615 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.8 m -109.97 134.72 51.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.953 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.59 -13.69 61.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.31 179.932 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.5 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -146.68 -156.03 0.68 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.973 179.663 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.5 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.57 -64.93 0.71 Allowed 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 120.929 0.395 . . . . 0.0 110.568 179.652 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -155.68 83.86 1.03 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.644 179.656 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -149.95 -78.0 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.498 -179.765 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -84.73 69.18 10.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.942 0.401 . . . . 0.0 110.926 -179.806 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 66.9 m -98.79 107.39 19.82 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.985 -179.869 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.442 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 1.2 p90 -135.7 166.41 23.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 179.834 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.9 t -53.55 137.69 35.91 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.005 0.431 . . . . 0.0 111.23 -179.695 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -141.32 122.84 15.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.326 179.44 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.99 22.67 1.13 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.791 -179.655 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 58.71 109.26 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.325 0 CA-C-O 121.213 0.53 . . . . 0.0 111.258 179.755 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.48 55.92 4.42 Favored Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 115.527 -0.761 . . . . 0.0 112.633 179.898 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.02 75.86 7.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.881 0.372 . . . . 0.0 110.558 179.885 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.59 -17.52 55.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.332 -179.8 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 32.5 tpp -84.2 -44.75 13.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.825 179.894 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -150.03 75.2 9.07 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.986 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -80.53 164.05 21.33 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.654 2.236 . . . . 0.0 112.315 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 48.5 m -82.16 -117.42 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.056 0 CA-C-O 121.218 0.532 . . . . 0.0 110.695 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.6 p -81.78 107.7 14.72 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.993 -179.77 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.94 97.58 1.96 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.402 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.474 0 CA-C-O 120.791 0.329 . . . . 0.0 110.841 . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.6 t -94.6 161.75 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.0 179.779 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 84.2 mtt180 -78.98 -169.23 1.72 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.124 -179.182 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 tp -69.04 -23.24 64.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.547 -179.587 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.462 ' N ' ' CD2' ' A' ' 5' ' ' HIS . 0.0 OUTLIER -156.07 67.94 0.61 Allowed 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 120.972 0.415 . . . . 0.0 111.07 179.846 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -139.62 159.6 41.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.752 179.863 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 79.5 p -75.83 144.22 41.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.774 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 9' ' ' LEU . 27.8 p -108.99 -24.31 11.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.225 -179.912 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.46 ' C ' ' O ' ' A' ' 8' ' ' CYS . 1.1 pp 23.59 87.09 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.166 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 165.59 -29.12 0.2 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.429 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 78.19 -30.5 0.16 Allowed 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.58 -5.56 55.77 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.535 0.207 . . . . 0.0 111.317 179.818 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.6 t -105.82 83.32 1.01 Allowed Pre-proline 0 C--N 1.332 -0.195 0 CA-C-O 120.677 0.275 . . . . 0.0 111.233 -179.926 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.66 164.91 34.24 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.455 2.103 . . . . 0.0 112.039 179.866 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.0 t -63.22 137.25 58.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.947 0.404 . . . . 0.0 111.121 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.402 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -71.37 -6.43 40.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.393 179.624 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.09 140.32 36.95 Favored Pre-proline 0 CA--C 1.531 0.249 0 CA-C-O 120.849 0.356 . . . . 0.0 111.234 -179.451 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -54.65 131.96 48.77 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.579 2.186 . . . . 0.0 112.072 179.65 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 23.4 t 63.03 16.35 9.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.351 179.934 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -104.51 136.53 43.89 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.838 0.351 . . . . 0.0 111.016 179.887 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.3 t -135.12 151.12 50.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.84 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.8 t -72.83 119.25 16.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.146 -179.861 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -108.51 137.66 46.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.585 179.588 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 57.8 m -100.11 127.03 46.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.03 -179.825 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.96 -9.62 58.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.507 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.524 ' CD2' ' CZ ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -143.92 -158.45 0.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 179.651 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.524 ' CZ ' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.42 -68.6 0.2 Allowed 'General case' 0 N--CA 1.445 -0.695 0 CA-C-O 120.86 0.362 . . . . 0.0 110.41 179.592 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -155.16 75.48 0.95 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.681 179.57 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -153.09 -63.98 0.15 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.668 -179.799 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -84.3 64.31 8.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.08 -179.73 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 31.9 m -100.66 112.1 24.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 179.907 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -136.07 169.36 17.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.706 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 13.3 t -55.37 138.25 46.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.065 0.459 . . . . 0.0 111.143 -179.83 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -137.0 111.91 8.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.297 179.517 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.46 19.66 1.88 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.874 -179.49 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 60.8 111.53 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 121.212 0.529 . . . . 0.0 111.038 179.879 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.27 53.45 3.1 Favored Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 115.441 -0.8 . . . . 0.0 112.782 -179.942 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.5 p -90.87 76.08 6.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.863 0.364 . . . . 0.0 110.681 179.675 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.28 -18.0 56.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.476 -179.794 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.6 mpp? -84.8 -38.26 19.79 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.801 179.888 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -150.11 78.02 8.13 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.992 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.27 165.04 33.8 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.444 2.096 . . . . 0.0 112.31 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 34.4 m -82.5 -118.89 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.117 0 CA-C-O 121.259 0.552 . . . . 0.0 110.806 -179.939 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.3 m -82.73 80.67 8.76 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.349 -0.842 . . . . 0.0 111.005 -179.789 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 30.9 ttm-85 -154.95 107.26 2.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.983 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.9 m . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.287 -0.863 . . . . 0.0 110.917 -179.916 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.429 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 120.832 0.348 . . . . 0.0 110.834 . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.1 t -93.96 164.59 2.06 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.645 179.659 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 24.4 mtt180 -78.08 -164.37 0.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.076 -179.226 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.7 tp -68.38 -35.71 78.1 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.333 -179.479 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.84 39.42 0.43 Allowed 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.196 179.825 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -104.77 167.58 9.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.658 179.637 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 28.0 m -68.06 150.04 48.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.782 179.96 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.48 ' O ' ' C ' ' A' ' 9' ' ' LEU . 16.8 p -109.13 -23.22 11.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.219 -179.851 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.521 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 1.6 pt? 17.15 99.13 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.284 0.634 . . . . 0.0 112.569 -179.832 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 154.31 -22.84 0.66 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.631 -179.873 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 74.43 -48.3 0.65 Allowed 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -180.0 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -90.47 36.8 0.89 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.845 0.355 . . . . 0.0 111.16 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.6 t -137.03 84.54 24.82 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.0 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -71.24 162.17 43.36 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.562 2.175 . . . . 0.0 112.397 179.947 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.1 t -63.85 140.28 58.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.402 -179.821 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.429 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.52 -5.77 39.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.523 179.511 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.02 140.37 22.42 Favored Pre-proline 0 C--O 1.234 0.237 0 CA-C-O 120.93 0.395 . . . . 0.0 111.681 -179.27 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -55.62 134.55 64.61 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.614 2.209 . . . . 0.0 111.887 179.505 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.9 t 64.08 13.09 7.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.023 -179.536 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -106.49 134.04 50.25 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.745 0.307 . . . . 0.0 110.889 179.711 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.4 t -140.07 156.02 46.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.6 t -71.77 145.54 48.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.879 0.371 . . . . 0.0 111.006 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -145.02 134.69 23.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.552 179.933 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.6 m -98.83 136.87 38.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.959 -179.865 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.54 -10.73 60.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.208 179.704 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.491 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.4 -154.25 0.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.844 179.591 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.491 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.89 -67.56 0.28 Allowed 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 120.851 0.358 . . . . 0.0 110.42 179.573 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 -156.13 83.5 1.0 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.802 179.63 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.11 -77.55 0.13 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.779 0.289 . . . . 0.0 111.779 -179.745 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.42 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . 14.3 m-85 -83.9 73.06 10.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.805 0.336 . . . . 0.0 111.171 -179.488 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.1 m -100.58 113.94 27.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.36 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.42 ' CE2' ' HB3' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -136.41 166.35 23.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.694 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.3 t -61.28 147.54 44.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.354 -179.794 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.55 126.92 19.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.226 179.213 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.87 15.03 4.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.804 -179.499 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.06 110.89 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.325 0 CA-C-O 121.164 0.507 . . . . 0.0 111.022 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -84.42 51.6 4.58 Favored Glycine 0 N--CA 1.451 -0.358 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.684 -179.79 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 29.6 p -91.47 75.92 5.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.816 0.341 . . . . 0.0 110.594 179.771 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.56 -18.76 60.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.415 -179.874 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 10.5 tpp -84.8 -33.22 23.0 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.803 179.927 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -150.11 65.22 7.27 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.927 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -79.02 154.58 25.74 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.651 2.234 . . . . 0.0 112.366 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 41.5 m -81.8 -117.38 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.057 0 CA-C-O 121.282 0.563 . . . . 0.0 110.825 179.937 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 53.1 p -81.78 102.8 11.02 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.129 -179.845 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -155.06 30.86 0.4 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 -179.92 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.3 m . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.985 179.935 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.432 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.467 0 CA-C-O 120.831 0.348 . . . . 0.0 110.88 . . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.6 t -94.09 166.61 1.76 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.629 179.699 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.4 ' HB2' ' HG2' ' A' ' 6' ' ' GLU . 54.9 mtt180 -77.71 -162.4 0.31 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.971 -179.326 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 35.4 tp -66.99 -44.15 81.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.67 -179.045 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -156.54 75.54 0.86 Allowed 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 120.777 0.322 . . . . 0.0 111.655 -179.826 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.4 ' HG2' ' HB2' ' A' ' 3' ' ' ARG . 0.3 OUTLIER -141.69 176.0 9.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.662 179.452 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 25.5 p -70.75 138.33 50.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.66 179.76 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.463 ' O ' ' C ' ' A' ' 9' ' ' LEU . 28.5 p -109.01 -26.67 10.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.36 -179.797 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.463 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.3 OUTLIER 23.83 91.68 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.085 -179.958 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 170.65 -25.25 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.855 -179.836 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 75.42 -50.7 0.64 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.645 0.223 . . . . 0.0 111.542 -179.948 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.37 9.32 20.97 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.592 0.219 . . . . 0.0 111.592 -179.752 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.3 t -106.27 83.72 1.21 Allowed Pre-proline 0 C--N 1.332 -0.186 0 CA-C-O 120.631 0.253 . . . . 0.0 111.09 179.776 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.411 ' O ' ' HB3' ' A' ' 1' ' ' CYS . 46.8 Cg_endo -70.57 158.87 54.63 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.458 2.105 . . . . 0.0 112.295 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.3 t -65.75 138.72 58.13 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.455 -179.927 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.432 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -73.11 -4.68 34.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.497 179.581 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -99.3 133.86 21.7 Favored Pre-proline 0 C--O 1.235 0.321 0 CA-C-O 120.938 0.399 . . . . 0.0 111.869 -178.918 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -54.5 139.16 75.22 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.573 2.182 . . . . 0.0 111.678 179.26 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 45.6 t 64.72 9.61 5.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.013 -179.257 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -107.31 132.01 53.59 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-O 120.834 0.35 . . . . 0.0 110.94 179.721 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 t -138.42 146.61 42.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.987 -179.807 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.6 t -74.45 120.51 20.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.906 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.465 ' CD1' ' HB3' ' A' ' 34' ' ' ARG . 3.5 p90 -116.92 141.56 48.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.546 179.615 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 29.7 m -99.02 130.94 45.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.167 -179.791 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.06 -9.81 59.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.361 179.796 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.506 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -144.32 -154.89 0.56 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.879 179.753 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.506 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.77 -70.37 0.11 Allowed 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 120.928 0.394 . . . . 0.0 110.434 179.497 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -155.97 78.11 0.97 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.631 179.468 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.5 -66.76 0.16 Allowed 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 -179.722 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -84.15 65.65 8.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.944 0.402 . . . . 0.0 111.077 -179.489 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 17.4 m -99.84 114.03 26.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.046 179.924 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.438 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -137.29 159.72 41.1 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.813 179.704 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.8 t -63.6 142.14 58.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.018 0.437 . . . . 0.0 111.433 -179.713 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.465 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -140.18 134.37 31.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.229 178.972 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -85.36 28.02 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.73 -179.566 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 57.24 108.31 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.17 0.509 . . . . 0.0 111.3 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.49 55.78 4.42 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.716 -179.85 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 63.2 p -92.04 77.78 5.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.866 0.365 . . . . 0.0 110.404 179.653 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.61 -15.51 28.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.62 -179.763 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 11.7 mtm -83.82 -40.14 19.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.678 179.911 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -150.86 74.39 8.55 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.173 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -74.71 158.58 43.18 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.546 2.164 . . . . 0.0 112.262 179.742 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 55.5 m -81.87 -117.5 0.02 OUTLIER 'General case' 0 N--CA 1.439 -0.994 0 CA-C-O 121.245 0.545 . . . . 0.0 110.808 179.937 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.4 m -81.86 130.55 35.11 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.045 -179.785 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.16 86.91 1.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.806 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.902 -180.0 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.892 0.377 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.4 t -96.54 162.11 2.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.294 -179.888 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.3 mtt85 -78.25 -164.51 0.55 Allowed 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 -179.528 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.1 tp -67.16 -26.83 66.85 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.293 -179.619 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -156.36 75.23 0.86 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.976 179.814 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -137.58 161.57 36.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.689 179.765 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.3 p -81.68 148.16 29.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.079 -179.867 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 9' ' ' LEU . 26.5 p -111.91 -13.23 13.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.337 179.914 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER 25.79 94.01 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.074 0.549 . . . . 0.0 112.296 -179.925 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.45 -17.92 7.81 Favored Glycine 0 CA--C 1.518 0.28 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.554 179.938 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 68.6 5.93 5.15 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 -179.806 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.75 20.13 10.27 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.675 0.274 . . . . 0.0 110.952 179.515 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.0 t -142.03 89.64 8.72 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.33 -179.763 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -69.36 159.5 53.48 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.503 2.135 . . . . 0.0 112.284 179.849 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.9 t -64.3 145.31 56.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.105 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.7 m -71.46 -8.4 53.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.554 179.856 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -88.88 141.43 29.72 Favored Pre-proline 0 C--O 1.234 0.285 0 CA-C-O 121.061 0.458 . . . . 0.0 111.636 -179.194 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -55.39 136.71 74.92 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.583 2.189 . . . . 0.0 111.694 179.519 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER 61.05 12.57 4.06 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.609 -179.775 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -103.92 133.04 49.56 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-O 120.875 0.369 . . . . 0.0 110.895 179.622 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.1 t -134.13 156.14 48.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.811 -179.875 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 10.6 t -72.23 123.12 22.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 179.961 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -119.33 149.07 42.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.615 179.816 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.0 m -107.63 132.88 52.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.981 -179.834 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.46 -9.9 59.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.337 179.714 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -143.85 -158.11 0.85 Allowed 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.738 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -55.89 -67.67 0.27 Allowed 'General case' 0 N--CA 1.446 -0.669 0 CA-C-O 120.905 0.383 . . . . 0.0 110.422 179.527 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.1 p-10 -155.76 80.18 1.01 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.694 179.427 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.01 -71.38 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.974 -0.291 . . . . 0.0 111.644 -179.731 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.19 66.73 9.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.893 -179.718 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 47.4 m -98.3 107.1 19.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -137.0 173.82 11.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.154 179.828 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -54.78 136.58 46.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.259 -179.839 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.32 116.55 11.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.37 179.32 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.3 mtpt -84.64 23.84 1.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.731 -179.521 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 59.57 110.49 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 121.27 0.557 . . . . 0.0 111.251 179.817 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -78.74 54.65 4.14 Favored Glycine 0 N--CA 1.451 -0.301 0 CA-C-N 115.399 -0.819 . . . . 0.0 112.602 -179.87 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 62.3 p -91.18 76.99 6.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 110.452 179.85 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.15 -17.02 50.72 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.534 -179.815 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 15.2 ttm -84.28 -35.55 23.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.778 179.845 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -150.38 66.97 7.99 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -77.68 162.81 29.76 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.521 2.147 . . . . 0.0 112.335 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 38.0 m -82.3 -118.48 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.103 0 CA-C-O 121.216 0.531 . . . . 0.0 110.718 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.45 86.7 6.71 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.079 -179.895 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 20.3 ttt85 -155.03 40.97 0.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.972 -179.953 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.299 -0.858 . . . . 0.0 110.911 179.94 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.405 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.445 0 CA-C-O 120.88 0.371 . . . . 0.0 110.917 . . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.1 t -96.5 166.29 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.856 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.1 mtt85 -79.42 -164.59 0.65 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.866 -179.708 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 tp -68.89 -31.52 70.51 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.148 -179.686 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -155.46 71.42 0.77 Allowed 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.215 179.882 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.8 tp10 -140.22 160.19 40.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.924 179.906 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.2 t -77.14 151.62 35.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.744 179.749 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.515 ' O ' ' CB ' ' A' ' 9' ' ' LEU . 2.7 p -110.36 -42.87 4.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.009 -179.957 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.515 ' CB ' ' O ' ' A' ' 8' ' ' CYS . 12.0 tp 92.67 116.94 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.762 179.873 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 61.55 17.47 53.66 Favored Glycine 0 CA--C 1.517 0.171 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.897 179.892 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 47.01 28.01 0.82 Allowed 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 179.885 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -90.62 7.8 37.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.314 179.79 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.6 t -142.97 99.55 5.51 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.166 -179.963 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -67.78 160.49 48.07 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.246 1.964 . . . . 0.0 112.033 179.813 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.4 t -63.88 137.73 58.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.3 -179.82 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.405 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.03 -6.71 44.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.378 179.417 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.92 142.75 32.48 Favored Pre-proline 0 C--O 1.233 0.234 0 CA-C-O 120.899 0.38 . . . . 0.0 111.619 -179.321 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -55.68 133.66 59.4 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.605 2.203 . . . . 0.0 111.926 179.525 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.2 t 63.1 14.57 7.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.182 -179.434 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -108.26 133.64 52.21 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.865 0.364 . . . . 0.0 110.975 179.773 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.1 t -136.98 148.17 46.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.755 -179.941 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -73.06 113.59 10.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.924 179.948 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.477 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -113.52 152.47 30.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.848 179.791 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 18.2 m -105.82 137.58 43.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.124 -179.873 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.89 -11.35 60.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.358 179.78 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.496 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.81 -155.78 0.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.823 179.654 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.496 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.42 -66.08 0.5 Allowed 'General case' 0 N--CA 1.445 -0.715 0 CA-C-O 121.008 0.432 . . . . 0.0 110.395 179.535 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -156.18 83.02 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.704 179.691 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.66 -77.26 0.13 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.698 0.285 . . . . 0.0 111.671 -179.744 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -84.05 72.07 10.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.066 -179.596 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 35.1 m -99.34 107.4 19.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.057 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.475 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.9 OUTLIER -136.72 171.85 13.88 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.21 179.885 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.2 t -55.54 139.33 44.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.653 -179.562 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.477 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -137.42 112.82 9.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.128 179.322 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.69 19.36 1.67 Allowed 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -179.339 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 59.91 110.89 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 121.234 0.54 . . . . 0.0 111.281 179.699 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -84.67 51.36 4.55 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.433 -0.803 . . . . 0.0 112.607 -179.935 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.4 p -91.21 76.43 6.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.855 0.36 . . . . 0.0 110.651 179.828 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.63 -17.52 55.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.552 -179.757 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.4 ttm -84.59 -35.91 22.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.73 179.85 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -150.16 66.31 7.81 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 179.924 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -81.41 157.24 19.42 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.728 2.285 . . . . 0.0 112.506 -179.926 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 45.6 m -81.76 -116.77 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.062 0 CA-C-O 121.213 0.53 . . . . 0.0 110.799 179.903 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.1 p -81.15 93.07 6.38 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.005 -179.948 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.86 86.5 1.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.854 -179.945 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.285 -0.864 . . . . 0.0 110.888 -179.962 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.9 p . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.74 0.305 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.401 ' CG2' ' HB3' ' A' ' 8' ' ' CYS . 2.1 t -96.13 165.85 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.056 0.455 . . . . 0.0 111.416 -179.624 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 13.5 mtt180 -78.14 -168.12 1.21 Allowed 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.855 -179.619 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.6 tp -68.74 -34.58 75.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.768 0.318 . . . . 0.0 111.347 -179.497 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.92 71.63 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.164 179.937 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -140.37 164.66 29.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.766 179.793 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.6 t -82.5 143.29 31.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.702 179.846 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 9' ' ' LEU . 20.9 p -117.48 -30.15 5.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.496 -179.653 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 8' ' ' CYS . 1.2 pp 29.33 41.29 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.99 -179.464 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 8' ' ' CYS . . . -126.41 -11.88 3.61 Favored Glycine 0 CA--C 1.52 0.367 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.925 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 71.41 -58.08 0.59 Allowed 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 179.735 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.34 14.12 10.23 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -179.27 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.5 t -105.49 86.46 1.75 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 120.614 0.245 . . . . 0.0 111.189 179.604 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -69.65 157.51 60.35 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.379 2.053 . . . . 0.0 112.521 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.7 t -65.51 145.44 56.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.358 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.2 m -72.32 -6.33 42.46 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.777 179.838 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.95 142.18 24.16 Favored Pre-proline 0 C--O 1.233 0.232 0 CA-C-O 121.087 0.47 . . . . 0.0 112.003 -178.916 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_endo -56.81 135.93 73.49 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.53 2.153 . . . . 0.0 111.579 179.388 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.4 t 64.55 10.93 6.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 -179.339 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -104.16 131.0 51.9 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 120.781 0.324 . . . . 0.0 110.656 179.485 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.9 t -135.25 148.89 49.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.766 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.14 120.11 17.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.968 179.943 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -122.22 152.7 39.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.882 179.868 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 39.2 m -110.26 131.01 55.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.217 -179.734 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.5 ttp180 -73.96 -12.14 60.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.33 179.622 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.511 ' CD2' ' CZ ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -144.82 -158.73 0.92 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.754 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.511 ' CZ ' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.82 -66.44 0.45 Allowed 'General case' 0 N--CA 1.445 -0.708 0 CA-C-O 121.054 0.454 . . . . 0.0 110.489 179.675 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -154.68 78.91 1.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.734 179.693 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.61 -66.68 0.16 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.811 0.339 . . . . 0.0 111.302 -179.916 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.411 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 7.0 m-85 -84.65 59.13 5.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.741 -179.915 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 65.0 m -96.82 101.28 12.85 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.246 -179.62 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -139.77 171.71 13.83 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.925 179.474 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.1 t -57.33 145.09 33.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.119 0.485 . . . . 0.0 111.521 -179.574 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.407 ' HD3' ' HA ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -136.43 113.59 10.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.178 179.509 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.92 6.63 15.25 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -179.039 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.407 ' HA ' ' HD3' ' A' ' 34' ' ' ARG . 0.4 OUTLIER 61.21 111.1 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.295 0.569 . . . . 0.0 111.226 179.775 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -92.67 51.52 2.64 Favored Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 115.285 -0.871 . . . . 0.0 112.535 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.9 p -91.66 77.75 5.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.857 0.36 . . . . 0.0 110.512 179.729 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.41 -17.47 44.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.574 -179.725 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.5 ttm -84.04 -30.76 25.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.885 0.374 . . . . 0.0 110.639 179.785 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -150.31 61.39 4.8 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.831 179.919 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_endo -78.52 154.49 27.56 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.645 2.23 . . . . 0.0 112.325 -179.954 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 44.0 m -81.56 -116.35 0.02 OUTLIER 'General case' 0 N--CA 1.439 -1.013 0 CA-C-O 121.129 0.49 . . . . 0.0 110.96 179.929 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 m -80.69 139.99 35.87 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.987 -179.757 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -154.56 67.79 0.71 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.75 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.134 -0.936 . . . . 0.0 111.002 179.98 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 120.836 0.351 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.413 ' O ' ' HB2' ' A' ' 16' ' ' CYS . 0.3 OUTLIER -95.27 -175.31 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.587 179.661 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 29.2 mtt180 -81.08 -165.43 0.92 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.911 0.386 . . . . 0.0 111.439 -179.07 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.8 tp -70.1 -28.84 65.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.279 -179.572 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -154.74 44.83 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.219 -179.931 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -104.98 162.61 13.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.637 179.546 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.3 m -82.72 149.63 27.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.087 -179.797 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 9' ' ' LEU . 6.8 p -112.0 -12.46 13.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.341 179.911 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.3 OUTLIER 26.45 93.91 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 179.998 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 125.02 -17.23 7.16 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.458 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 68.79 7.03 5.89 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.787 0.292 . . . . 0.0 111.787 179.93 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -94.93 17.49 13.71 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.697 0.284 . . . . 0.0 111.042 179.49 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 39.2 t -142.28 87.01 9.74 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.215 -179.96 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -68.63 159.61 52.9 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.466 2.111 . . . . 0.0 112.105 179.802 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.0 t -64.43 133.81 53.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.296 -179.832 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER -73.3 -1.67 18.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.587 179.443 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -93.68 142.37 25.03 Favored Pre-proline 0 CA--C 1.53 0.207 0 CA-C-O 120.936 0.398 . . . . 0.0 111.579 -179.454 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -55.5 133.46 58.22 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.587 2.191 . . . . 0.0 111.847 179.627 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 35.0 t 62.89 15.28 8.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 -179.547 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -105.56 132.11 52.12 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 120.705 0.288 . . . . 0.0 110.777 179.735 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.5 t -135.83 143.13 44.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.936 0.398 . . . . 0.0 111.033 -179.819 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.8 t -73.44 111.69 8.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.02 179.868 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.451 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -115.87 156.02 26.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.727 179.847 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 13.0 m -104.29 138.13 41.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.081 -179.715 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.07 -10.49 59.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.293 179.73 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.489 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.24 -155.0 0.57 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.725 179.678 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.489 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.85 -68.54 0.19 Allowed 'General case' 0 N--CA 1.447 -0.601 0 CA-C-O 120.888 0.375 . . . . 0.0 110.36 179.536 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -155.97 81.48 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.673 179.58 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.01 -73.19 0.15 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.738 0.304 . . . . 0.0 111.689 -179.728 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.405 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.4 OUTLIER -83.93 70.5 10.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.973 -179.601 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 23.3 m -99.48 108.62 21.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.272 -179.911 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -138.43 164.6 28.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.682 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -53.46 140.4 28.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.296 -179.666 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.451 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 2.5 tmm_? -140.47 120.81 13.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.47 179.277 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -84.81 25.62 0.91 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.542 -179.829 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 60.46 111.38 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 121.191 0.52 . . . . 0.0 111.052 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -78.86 51.33 3.78 Favored Glycine 0 N--CA 1.453 -0.198 0 CA-C-N 115.385 -0.825 . . . . 0.0 112.884 -179.851 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.76 78.53 4.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.936 0.398 . . . . 0.0 110.417 179.566 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.01 -15.17 28.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.767 -179.678 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -83.65 -37.35 22.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.85 0.357 . . . . 0.0 110.844 179.88 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 -150.34 67.0 8.04 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.987 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.25 151.47 38.44 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.668 2.245 . . . . 0.0 112.479 -179.866 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 37.8 m -82.46 -118.71 0.02 OUTLIER 'General case' 0 N--CA 1.436 -1.134 0 CA-C-O 121.295 0.569 . . . . 0.0 110.837 179.888 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.63 91.03 6.89 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.027 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.86 87.56 1.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.236 -0.887 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.401 ' HB3' ' O ' ' A' ' 14' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.505 0 CA-C-O 120.901 0.381 . . . . 0.0 110.911 . . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 24.4 t -96.73 158.25 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.028 179.684 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 29.0 mtp180 -80.33 -175.94 5.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.071 -179.498 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.471 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 13.5 tp -71.93 -63.13 1.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.043 -179.958 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.421 ' CD2' ' HG ' ' A' ' 4' ' ' LEU . 8.7 m-70 -85.35 48.48 1.58 Allowed 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.305 -179.789 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -142.1 161.44 37.99 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.16 0.505 . . . . 0.0 111.7 -179.709 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.481 ' HA ' ' HA ' ' A' ' 32' ' ' TYR . 0.8 OUTLIER -99.09 159.51 14.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.187 179.32 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 10' ' ' GLY . 10.8 p -111.58 -34.44 6.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.691 0.282 . . . . 0.0 111.251 -179.848 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.7 OUTLIER 27.38 41.96 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.178 -179.742 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 8' ' ' CYS . . . -136.23 -7.74 1.68 Allowed Glycine 0 CA--C 1.521 0.411 0 C-N-CA 120.667 -0.777 . . . . 0.0 113.298 -179.649 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 70.35 -58.73 0.54 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 117.031 0.415 . . . . 0.0 111.48 -179.967 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -91.24 36.02 0.93 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.274 -179.752 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 20.4 t -140.52 79.05 20.85 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.875 0.369 . . . . 0.0 111.121 179.816 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.401 ' O ' ' HB3' ' A' ' 1' ' ' CYS . 66.5 Cg_endo -75.93 164.21 32.03 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.489 2.126 . . . . 0.0 112.229 179.934 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 t -63.91 138.69 58.58 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.013 0.435 . . . . 0.0 111.111 -179.925 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.46 -7.49 47.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.277 179.433 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -80.57 135.54 52.93 Favored Pre-proline 0 CA--C 1.532 0.253 0 CA-C-O 120.852 0.358 . . . . 0.0 111.45 -179.487 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -53.22 134.93 58.52 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.602 2.201 . . . . 0.0 111.801 179.646 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.1 t 61.25 18.45 9.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.74 -179.593 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -123.78 118.87 28.16 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-O 120.921 0.391 . . . . 0.0 111.316 -179.987 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.9 t -126.02 169.08 13.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.141 179.621 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.8 t -70.83 142.73 51.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.022 0.439 . . . . 0.0 111.182 -179.769 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.417 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 47.8 t80 -139.07 138.22 36.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.59 179.906 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 15.1 m -105.87 133.52 50.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.725 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.62 -10.78 60.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.312 179.792 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.491 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.94 -155.5 0.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.851 179.601 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.491 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.13 -66.43 0.43 Allowed 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 120.88 0.371 . . . . 0.0 110.491 179.628 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -155.97 83.26 1.01 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.729 179.58 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.2 -74.65 0.15 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.692 -179.77 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.411 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.2 OUTLIER -84.1 66.28 9.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.939 0.4 . . . . 0.0 111.057 -179.582 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 40.9 m -96.68 104.24 16.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 179.871 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.481 ' HA ' ' HA ' ' A' ' 7' ' ' SER . 3.7 p90 -137.47 -179.99 6.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.901 0.381 . . . . 0.0 111.526 -179.897 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.471 ' HB3' ' O ' ' A' ' 4' ' ' LEU . 45.4 t -52.01 136.47 29.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.756 -179.609 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.82 125.08 18.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.037 179.682 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.8 mtmt -84.72 40.81 0.82 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.736 -179.53 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 49.98 103.62 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.263 0.554 . . . . 0.0 111.812 179.644 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -80.12 57.42 4.62 Favored Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.436 179.662 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -91.15 76.89 6.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.838 0.352 . . . . 0.0 110.7 179.962 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.41 -17.46 54.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.381 -179.827 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.6 mmt -84.42 -46.51 11.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.838 179.876 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -150.35 75.26 8.79 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -85.01 167.93 10.78 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.784 2.323 . . . . 0.0 112.429 -179.931 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 43.2 m -81.6 -117.94 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.052 0 CA-C-O 121.237 0.541 . . . . 0.0 110.653 179.872 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.6 t -81.71 102.12 10.53 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.047 -179.907 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.93 85.64 1.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.796 -179.92 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 23.2 m . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.852 -179.934 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.898 0.38 . . . . 0.0 111.274 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.5 t -96.82 162.41 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.132 -179.939 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -79.61 -168.26 1.51 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.904 -179.598 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.9 tp -69.1 -23.56 64.02 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.359 -179.739 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.423 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 0.0 OUTLIER -155.47 66.72 0.63 Allowed 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 120.966 0.413 . . . . 0.0 111.057 179.92 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -139.36 160.55 39.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.665 179.798 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.8 p -76.08 151.81 36.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.127 -179.804 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 9' ' ' LEU . 20.1 p -111.03 -11.71 14.28 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.244 179.808 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 8' ' ' CYS . 7.0 tp 25.19 96.04 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.16 0.584 . . . . 0.0 112.575 -179.909 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 127.92 -24.04 5.19 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.489 179.8 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.54 3.33 4.15 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -179.865 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.51 -17.51 21.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.754 0.311 . . . . 0.0 110.934 179.502 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 39.8 t -100.0 96.59 5.03 Favored Pre-proline 0 C--N 1.332 -0.19 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.191 -179.719 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.93 161.28 46.64 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.41 2.073 . . . . 0.0 112.151 179.751 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.0 t -65.0 146.19 55.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.269 179.986 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 93.2 m -71.89 -8.59 55.31 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.581 179.832 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -93.7 138.45 22.85 Favored Pre-proline 0 C--O 1.234 0.254 0 CA-C-O 121.017 0.437 . . . . 0.0 111.814 -178.96 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -55.55 136.28 73.26 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.55 2.166 . . . . 0.0 111.677 179.234 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 46.6 t 65.54 10.84 6.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.263 -179.409 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -105.79 130.2 53.82 Favored 'General case' 0 N--CA 1.457 -0.084 0 CA-C-O 120.843 0.354 . . . . 0.0 110.69 179.621 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.6 t -133.27 162.66 31.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.687 -179.856 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.5 t -70.75 146.59 49.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.959 0.409 . . . . 0.0 111.187 -179.785 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.419 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 10.6 t80 -144.21 133.98 23.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.505 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 34.8 m -99.87 128.59 45.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.958 -179.891 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.83 -10.58 59.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.358 179.779 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.494 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -146.13 -154.57 0.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.93 179.7 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.494 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.81 -69.64 0.14 Allowed 'General case' 0 N--CA 1.445 -0.702 0 CA-C-O 120.889 0.376 . . . . 0.0 110.429 179.658 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -155.02 79.33 1.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.783 179.544 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -153.36 -66.21 0.15 Allowed 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.725 -179.704 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -83.43 59.7 5.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.833 0.349 . . . . 0.0 111.098 -179.618 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 32.7 m -96.67 104.63 16.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.906 179.892 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -136.06 175.91 9.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.445 -179.908 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.3 t -58.5 142.49 48.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.303 -179.68 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -140.13 118.03 11.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.134 179.433 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.55 20.08 1.81 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.822 -179.409 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 60.57 111.12 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 121.161 0.505 . . . . 0.0 111.037 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.26 53.89 3.52 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.906 -179.91 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.76 75.32 6.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.815 0.34 . . . . 0.0 110.587 179.763 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.82 -17.62 56.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.493 -179.771 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 25.8 ttm -84.61 -42.38 15.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.847 179.93 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.7 m-20 -149.91 73.09 9.54 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.941 179.969 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -79.92 156.84 23.83 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.626 2.217 . . . . 0.0 112.336 -179.932 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 41.8 m -81.89 -117.37 0.02 OUTLIER 'General case' 0 N--CA 1.439 -0.999 0 CA-C-O 121.229 0.538 . . . . 0.0 110.861 179.901 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.7 m -81.59 104.36 11.96 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.065 -179.747 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.03 92.3 1.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.781 179.913 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.943 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.401 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.466 0 CA-C-O 120.783 0.325 . . . . 0.0 110.873 . . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.0 t -92.79 165.48 1.91 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.288 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.524 179.568 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.99 -169.42 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.092 -179.19 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.9 tp -67.33 -34.06 76.57 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.531 -179.39 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -155.39 72.19 0.8 Allowed 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.208 179.842 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -140.26 162.44 35.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.815 179.868 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.8 t -73.77 146.46 44.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.69 179.862 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.462 ' O ' ' C ' ' A' ' 9' ' ' LEU . 21.3 p -109.74 -25.04 10.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.298 -179.849 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.462 ' C ' ' O ' ' A' ' 8' ' ' CYS . 4.3 tp 24.37 88.19 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.106 -179.943 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.98 -25.28 0.23 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.56 -179.76 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 76.55 -37.58 0.29 Allowed 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.01 34.89 0.84 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.663 0.268 . . . . 0.0 111.072 179.991 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.4 t -142.74 82.21 12.59 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.744 0.307 . . . . 0.0 111.203 -179.981 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -73.26 161.41 42.99 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.615 2.21 . . . . 0.0 112.455 -179.999 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.3 t -65.16 135.99 56.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.445 -179.943 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.401 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -73.62 -2.6 23.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.695 179.445 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -98.03 137.82 20.9 Favored Pre-proline 0 C--O 1.234 0.287 0 CA-C-O 120.986 0.422 . . . . 0.0 111.82 -179.038 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -54.47 137.9 73.22 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.562 2.174 . . . . 0.0 111.623 179.396 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 41.8 t 63.68 12.09 6.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.872 -179.174 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -108.0 130.84 55.03 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 120.857 0.36 . . . . 0.0 110.976 179.806 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.5 t -138.51 137.71 37.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.685 -179.923 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 11.9 t -73.58 112.38 9.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 179.936 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.457 ' CD1' ' HG3' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -119.06 156.05 30.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.406 179.743 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 14.2 m -100.42 132.34 45.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.026 -179.737 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.29 -9.07 58.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.325 179.925 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.49 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -144.43 -154.81 0.55 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.788 179.782 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.49 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.51 -70.58 0.1 Allowed 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 120.972 0.415 . . . . 0.0 110.388 179.511 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -155.77 78.21 0.98 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.756 179.483 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.79 -65.29 0.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -179.721 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.427 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 7.4 m-85 -84.3 63.4 7.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.84 0.352 . . . . 0.0 111.125 -179.492 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 19.4 m -96.63 104.87 16.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.947 179.835 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -138.61 163.15 32.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.27 -179.871 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 1.7 t -57.7 136.71 56.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.156 -179.885 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.457 ' HG3' ' CD1' ' A' ' 23' ' ' TYR . 4.6 mmt-85 -138.57 126.59 22.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.32 179.237 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.61 33.91 0.52 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.838 -179.485 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 57.41 109.2 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.226 0.536 . . . . 0.0 111.205 179.766 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -78.79 54.05 4.1 Favored Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.758 179.921 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 70.0 p -92.94 77.86 4.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.893 0.378 . . . . 0.0 110.472 179.776 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.65 -16.34 37.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.539 -179.851 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -84.38 -37.95 20.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.946 179.784 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -150.45 71.93 9.09 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.193 -179.95 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -75.98 159.48 37.75 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.642 2.228 . . . . 0.0 112.424 179.935 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 53.8 m -82.25 -117.29 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.074 0 CA-C-O 121.239 0.542 . . . . 0.0 110.83 179.954 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.61 135.79 35.55 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.154 -179.817 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.24 31.07 0.39 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.857 -179.941 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.282 -0.865 . . . . 0.0 110.933 179.997 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.414 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 120.775 0.322 . . . . 0.0 110.8 . . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.5 t -93.02 163.13 2.28 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.313 0 CA-C-O 120.892 0.377 . . . . 0.0 110.695 179.769 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.1 mtt85 -78.7 -164.6 0.6 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.147 -179.131 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.0 tp -68.55 -29.27 67.8 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.156 -179.455 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -155.69 46.08 0.48 Allowed 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.884 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.2 tp10 -106.43 158.19 17.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.804 179.776 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 57.0 p -74.54 146.12 42.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.071 179.956 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 9' ' ' LEU . 31.2 p -110.7 -22.07 11.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.221 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 8' ' ' CYS . 27.1 tp 25.67 92.64 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.317 -179.852 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 143.7 -26.99 2.08 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.419 179.94 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 73.4 -7.69 1.49 Allowed 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 111.957 0.355 . . . . 0.0 111.957 -179.995 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.61 -15.3 28.8 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 120.686 0.279 . . . . 0.0 111.108 179.747 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.0 t -102.91 87.95 1.37 Allowed Pre-proline 0 C--N 1.332 -0.18 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.664 -179.714 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -70.06 160.9 47.98 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.428 2.085 . . . . 0.0 112.178 179.712 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.9 t -64.97 135.32 55.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.286 -179.947 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.414 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.93 -3.89 28.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.49 179.483 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.89 140.58 22.56 Favored Pre-proline 0 CA--C 1.532 0.264 0 CA-C-O 120.919 0.39 . . . . 0.0 111.698 -179.24 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -55.72 134.82 66.26 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.572 2.181 . . . . 0.0 111.749 179.558 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.2 t 64.24 13.2 7.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.111 -179.535 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -105.37 130.7 53.42 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.907 0.385 . . . . 0.0 111.045 179.679 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.6 t -136.68 143.7 43.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.791 -179.986 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.3 t -73.75 135.24 43.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.239 -179.9 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.482 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 1.5 p90 -132.48 142.3 49.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.563 179.519 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 21.4 m -97.07 131.36 43.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.293 -179.575 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.47 -8.98 58.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.272 179.633 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.499 ' CE1' ' CE1' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -144.02 -154.41 0.53 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.711 179.685 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.499 ' CE1' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.37 -71.54 0.08 Allowed 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 120.92 0.391 . . . . 0.0 110.361 179.626 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -155.91 77.32 0.95 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.682 179.431 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.8 -64.19 0.16 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.68 0.276 . . . . 0.0 111.711 -179.669 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -84.29 64.64 8.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.806 0.336 . . . . 0.0 111.085 -179.581 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 8.6 m -99.96 116.08 31.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.227 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.483 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.5 OUTLIER -139.31 160.02 40.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.135 179.774 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.5 t -57.72 143.29 42.32 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.413 -179.662 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.482 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 39.6 ttt85 -140.12 128.05 22.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.442 179.256 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.04 27.15 0.79 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.744 -179.723 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 57.79 109.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.16 0.505 . . . . 0.0 111.271 179.93 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.12 55.06 3.56 Favored Glycine 0 N--CA 1.453 -0.189 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.516 179.98 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.2 p -91.96 77.21 5.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.905 0.383 . . . . 0.0 110.658 179.696 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.13 -16.93 49.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.469 -179.842 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 5.8 mtt -84.45 -38.05 20.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.853 179.908 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -150.35 73.21 9.15 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.099 179.977 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.82 152.65 37.25 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.67 2.246 . . . . 0.0 112.377 179.985 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 43.6 m -82.23 -117.21 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.081 0 CA-C-O 121.11 0.481 . . . . 0.0 111.036 179.916 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.4 t -81.74 67.23 7.63 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.123 -179.75 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.2 tpp85 -155.92 107.94 2.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.776 179.786 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 74.0 m . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.27 -0.872 . . . . 0.0 110.853 -179.961 . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 120.81 0.338 . . . . 0.0 110.833 . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.5 t -93.46 162.48 2.39 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.289 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.718 179.77 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 17.4 mmt85 -78.59 -165.08 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 -179.19 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.9 tp -68.53 -29.73 68.38 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.095 -179.781 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -155.47 75.47 0.93 Allowed 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.024 179.801 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -136.82 168.08 20.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.539 179.874 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 38.7 t -86.07 145.21 27.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.156 -179.835 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 9' ' ' LEU . 20.5 p -110.23 -16.6 13.72 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.282 179.973 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.6 OUTLIER 26.18 95.4 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -179.897 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 131.08 -22.13 4.53 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.471 179.906 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 68.88 4.88 4.69 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 111.573 0.212 . . . . 0.0 111.573 -179.76 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.77 -19.41 21.08 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.69 0.281 . . . . 0.0 110.823 179.668 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.5 t -102.85 87.85 1.33 Allowed Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.303 -179.828 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -69.44 159.66 52.8 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.378 2.052 . . . . 0.0 112.202 179.811 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.8 t -64.86 135.86 56.22 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.257 -179.924 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.55 -5.63 38.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.339 179.288 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.84 143.38 33.38 Favored Pre-proline 0 C--O 1.233 0.234 0 CA-C-O 120.867 0.365 . . . . 0.0 111.636 -179.407 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_endo -56.55 132.0 49.15 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.706 2.271 . . . . 0.0 111.822 179.513 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.8 t 62.24 16.36 8.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 -179.447 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -105.88 130.73 53.79 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.77 0.319 . . . . 0.0 111.134 179.796 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -137.57 160.06 40.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.504 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.6 t -72.35 151.7 42.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.047 0.451 . . . . 0.0 111.079 -179.846 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -155.47 138.36 15.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.557 179.908 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 22.1 m -98.75 131.8 44.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.123 -179.83 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.89 -10.29 59.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.013 0.435 . . . . 0.0 111.312 179.783 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.492 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.26 -155.15 0.59 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.847 179.634 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.492 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.96 -68.29 0.22 Allowed 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 120.987 0.422 . . . . 0.0 110.427 179.518 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -155.84 80.77 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.769 179.635 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.86 -70.74 0.15 Allowed 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -179.705 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -84.22 66.31 9.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.856 0.36 . . . . 0.0 111.144 -179.46 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 27.9 m -97.84 104.24 16.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.648 179.814 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -134.11 177.9 7.38 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.473 -179.749 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.9 t -68.43 138.79 55.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.571 -179.483 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.04 119.29 11.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.375 178.766 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -83.19 49.71 1.6 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.265 -0.425 . . . . 0.0 112.118 -178.734 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.403 ' O ' ' O ' ' A' ' 35' ' ' LYS . 0.2 OUTLIER 48.55 103.75 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.221 0.534 . . . . 0.0 111.832 179.365 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -71.37 56.48 1.18 Allowed Glycine 0 C--N 1.322 -0.222 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.66 179.755 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.01 76.51 4.72 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.782 0.325 . . . . 0.0 110.738 179.817 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.64 -17.45 55.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.387 -179.937 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.89 -48.37 9.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.914 179.967 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -150.13 79.36 7.62 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.244 -179.962 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -78.54 168.48 21.25 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.621 2.214 . . . . 0.0 112.313 179.842 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 47.4 m -82.08 -117.55 0.02 OUTLIER 'General case' 0 N--CA 1.439 -1.003 0 CA-C-O 121.209 0.528 . . . . 0.0 110.82 179.913 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.7 113.13 19.48 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.995 -179.823 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -154.84 64.05 0.65 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.886 -179.974 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.944 179.99 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.422 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 120.795 0.331 . . . . 0.0 110.875 . . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.7 t -94.34 166.09 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.668 179.769 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 76.7 mtt180 -78.02 -166.86 0.87 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.982 -179.321 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 14.5 tp -69.05 -37.36 78.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.286 -179.512 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -154.78 68.21 0.71 Allowed 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.096 179.846 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -139.59 169.65 17.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.833 179.85 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 70.0 p -65.13 144.75 57.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.714 179.787 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 9' ' ' LEU . 21.3 p -109.42 -26.46 9.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.213 -179.888 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.46 ' C ' ' O ' ' A' ' 8' ' ' CYS . 1.6 pp 22.26 93.36 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.235 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 164.49 -23.66 0.17 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.943 -179.894 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 74.24 -52.25 0.69 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.701 0.251 . . . . 0.0 111.549 -179.974 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.1 10.03 17.97 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.585 0.217 . . . . 0.0 111.585 -179.876 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.4 t -105.75 84.87 1.32 Allowed Pre-proline 0 C--N 1.332 -0.169 0 CA-C-O 120.749 0.309 . . . . 0.0 111.042 179.673 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -70.4 160.55 49.14 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.505 2.137 . . . . 0.0 112.342 179.866 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.6 t -64.62 138.52 58.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.203 -179.959 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.422 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.1 -5.61 36.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.478 179.668 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -96.08 135.39 22.74 Favored Pre-proline 0 C--O 1.234 0.271 0 CA-C-O 120.884 0.373 . . . . 0.0 111.654 -179.235 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -54.24 137.67 71.17 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.558 2.172 . . . . 0.0 111.596 179.433 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.8 t 64.41 11.93 6.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.468 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -107.59 132.38 53.34 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 120.769 0.318 . . . . 0.0 111.115 179.82 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.4 t -137.52 144.6 42.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.791 -179.997 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 46.7 t -72.1 122.28 20.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.89 0.376 . . . . 0.0 111.236 -179.789 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -113.36 140.03 48.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.532 179.593 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 57.2 m -103.13 126.39 50.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.971 -179.86 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.18 -9.96 59.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.537 179.798 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.52 ' CD2' ' CZ ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -144.28 -159.09 0.95 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.77 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.52 ' CZ ' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.69 -67.62 0.29 Allowed 'General case' 0 N--CA 1.444 -0.743 0 CA-C-O 120.896 0.379 . . . . 0.0 110.427 179.541 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -154.97 76.72 1.0 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.71 179.496 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.49 -65.39 0.16 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.525 -179.71 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -84.4 62.04 6.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.827 0.346 . . . . 0.0 111.039 -179.715 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 51.4 m -99.23 109.92 22.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.814 179.976 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -136.12 158.0 45.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 179.894 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.8 t -57.53 144.04 38.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.034 0.445 . . . . 0.0 111.11 -179.82 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -138.13 126.65 23.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.318 179.512 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.98 22.33 1.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.792 -179.686 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 58.55 109.08 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.165 0.507 . . . . 0.0 111.366 179.804 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.18 56.19 4.84 Favored Glycine 0 N--CA 1.451 -0.315 0 CA-C-N 115.425 -0.807 . . . . 0.0 112.53 179.875 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.15 75.61 7.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.893 0.377 . . . . 0.0 110.763 179.91 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.99 -17.38 56.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.527 -179.789 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -84.7 -42.7 15.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.783 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -150.07 73.22 9.38 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.815 179.945 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -80.67 164.15 20.93 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.644 2.229 . . . . 0.0 112.405 -179.925 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 49.9 m -81.41 -116.15 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.058 0 CA-C-O 121.141 0.495 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 p -80.97 102.35 10.09 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.985 -179.713 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.1 tpp85 -154.93 77.91 1.03 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.915 179.939 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.9 -179.968 . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.428 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.452 0 CA-C-O 120.702 0.287 . . . . 0.0 110.926 . . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.421 ' O ' ' HB2' ' A' ' 16' ' ' CYS . 1.7 t -94.25 168.84 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.612 179.801 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.9 mmt85 -79.1 -165.09 0.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.982 -179.3 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.0 tp -68.82 -37.55 79.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.191 -179.574 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -154.92 68.9 0.71 Allowed 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.155 179.854 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -139.97 161.73 36.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.639 179.701 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.9 m -56.59 150.9 14.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.459 ' O ' ' C ' ' A' ' 9' ' ' LEU . 30.5 p -107.33 -29.37 9.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.179 -179.826 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.459 ' C ' ' O ' ' A' ' 8' ' ' CYS . 1.6 pp 22.13 95.36 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.274 179.853 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 159.99 -19.37 0.24 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.969 -179.909 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 71.06 -55.11 0.66 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.792 0.296 . . . . 0.0 111.347 -179.801 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.29 38.32 0.97 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.825 0.345 . . . . 0.0 110.829 179.824 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.7 t -135.25 83.22 39.16 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.006 179.815 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.43 162.65 40.86 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.605 2.203 . . . . 0.0 112.395 -179.859 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.7 t -64.31 139.82 58.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.405 -179.975 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.428 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.33 -6.31 42.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.508 179.523 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -94.76 136.09 23.28 Favored Pre-proline 0 CA--C 1.531 0.231 0 CA-C-O 120.869 0.366 . . . . 0.0 111.659 -179.204 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -55.04 136.14 71.77 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.509 2.14 . . . . 0.0 111.617 179.476 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.7 t 64.48 12.59 7.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.955 -179.484 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -106.54 131.78 53.31 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.76 0.315 . . . . 0.0 110.921 179.76 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 t -137.06 148.7 46.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.893 -179.852 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 54.1 t -71.6 115.24 10.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.166 -179.862 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -106.22 140.77 38.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.664 179.662 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 69.5 m -103.39 120.9 41.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.27 -9.58 58.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.591 -179.894 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.493 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.29 -159.07 0.96 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.878 179.663 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.493 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -57.11 -67.45 0.32 Allowed 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 120.961 0.41 . . . . 0.0 110.354 179.576 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -155.14 74.17 0.9 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.756 179.597 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.56 -62.18 0.16 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.552 -179.686 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -84.54 58.0 4.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.867 0.365 . . . . 0.0 110.853 -179.732 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 62.2 m -98.6 101.69 13.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.899 179.881 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -135.83 160.56 38.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 -179.908 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 8.6 t -54.45 144.77 20.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.079 0.466 . . . . 0.0 111.183 -179.73 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.56 129.23 26.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.366 179.528 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.79 8.01 16.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.785 -179.646 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.49 110.81 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 121.142 0.496 . . . . 0.0 111.238 179.736 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -84.91 54.81 4.95 Favored Glycine 0 N--CA 1.452 -0.3 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.471 -179.987 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 76.0 p -90.57 76.11 6.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.863 0.363 . . . . 0.0 110.683 179.846 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.48 -18.17 57.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.465 -179.841 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.51 -32.49 23.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.746 179.789 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -150.16 64.66 6.92 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.834 179.883 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.98 150.77 30.24 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.65 2.233 . . . . 0.0 112.308 -179.848 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 40.0 m -81.73 -116.91 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.099 0 CA-C-O 121.156 0.503 . . . . 0.0 110.866 179.908 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.9 m -81.32 95.96 7.16 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.005 -179.745 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.98 82.61 1.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.816 -179.994 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.308 -0.853 . . . . 0.0 110.88 -179.966 . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.41 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.758 0.314 . . . . 0.0 110.842 . . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.6 t -93.62 163.23 2.28 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.241 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.769 179.789 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -78.12 -162.52 0.35 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.255 -179.124 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.3 tp -67.85 -32.9 73.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.085 -179.566 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.81 47.33 0.55 Allowed 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.194 179.963 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -104.67 161.43 14.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.695 179.551 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.2 t -80.48 149.61 29.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.959 -179.93 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.443 ' O ' ' C ' ' A' ' 9' ' ' LEU . 5.9 p -109.37 -6.98 15.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.426 -179.933 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER 24.25 94.58 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.538 0.569 . . . . 0.0 112.538 179.946 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.6 -20.78 7.29 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.498 179.942 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 70.65 2.17 4.01 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 -179.869 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -95.05 23.25 5.79 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.651 0.262 . . . . 0.0 110.859 179.436 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.9 t -141.58 91.62 8.37 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.171 -179.602 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -68.76 158.02 59.48 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.388 2.058 . . . . 0.0 112.249 179.845 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.9 t -65.23 134.54 53.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.429 179.999 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.41 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.4 -5.65 37.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.245 179.215 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.81 138.31 23.6 Favored Pre-proline 0 C--O 1.234 0.267 0 CA-C-O 120.948 0.404 . . . . 0.0 111.54 -179.332 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -54.72 134.44 62.6 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.624 2.216 . . . . 0.0 112.035 179.551 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 34.9 t 63.86 13.73 7.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.282 -179.739 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -105.87 135.02 48.06 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.634 0.254 . . . . 0.0 110.728 179.622 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 t -139.72 148.62 42.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.897 0.38 . . . . 0.0 111.349 -179.611 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.57 138.16 44.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.094 179.695 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.441 ' CD1' ' HB3' ' A' ' 34' ' ' ARG . 0.8 OUTLIER -141.12 146.23 36.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.597 179.769 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 35.3 m -100.24 130.77 46.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.066 -179.875 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.8 -11.23 60.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.208 179.833 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.498 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.94 -155.54 0.63 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.828 179.701 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.498 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.98 -68.78 0.18 Allowed 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 120.974 0.416 . . . . 0.0 110.514 179.527 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -154.46 80.32 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.693 179.576 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -153.05 -70.29 0.15 Allowed 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 -179.825 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -84.28 65.52 8.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.243 -179.433 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 32.2 m -99.01 104.36 16.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.989 179.826 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.435 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 2.4 p90 -139.12 165.72 26.42 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.064 0.459 . . . . 0.0 111.366 -179.924 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.0 t -58.29 147.4 30.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.362 -179.845 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.441 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -139.91 134.16 31.22 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.387 179.023 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -85.86 15.42 4.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.796 -179.508 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.65 111.35 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.113 0.482 . . . . 0.0 111.138 179.971 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.78 54.55 3.39 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.596 179.96 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.2 p -89.97 76.1 7.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.872 0.368 . . . . 0.0 110.648 179.833 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.62 -16.91 52.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.58 -179.844 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 20.9 mtm -84.27 -41.79 16.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.89 0.376 . . . . 0.0 110.867 179.912 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -150.16 73.1 9.33 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 179.818 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -77.55 151.59 29.02 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.566 2.177 . . . . 0.0 112.322 -179.878 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 36.7 m -82.38 -118.1 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.075 0 CA-C-O 121.165 0.507 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.06 136.52 35.2 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.005 -179.812 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.5 ttt85 -154.85 31.89 0.4 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.889 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.6 p . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.908 179.96 . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.9 p . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.854 0.359 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.1 t -96.25 163.25 2.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.2 -179.785 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 19.9 mtt180 -78.62 -166.12 0.82 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.152 -179.509 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 tp -69.11 -24.81 64.16 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.73 -179.474 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.452 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 0.0 OUTLIER -156.33 40.2 0.36 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 120.906 0.384 . . . . 0.0 111.294 -179.914 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -105.17 159.44 15.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.634 179.546 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 24.3 p -73.91 148.66 42.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.841 179.993 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' A' ' 9' ' ' LEU . 17.1 p -109.41 -24.58 10.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.202 -179.879 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 8' ' ' CYS . 1.5 pp 25.87 93.1 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.298 -179.815 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 141.82 -28.27 2.28 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.425 179.912 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 74.54 -14.2 0.74 Allowed 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.187 0.439 . . . . 0.0 112.187 -179.957 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.56 -12.58 42.35 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 120.658 0.266 . . . . 0.0 111.125 -179.906 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.1 t -101.78 90.09 1.75 Allowed Pre-proline 0 C--N 1.332 -0.18 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.548 -179.643 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -68.21 158.66 56.53 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.386 2.058 . . . . 0.0 112.201 179.682 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.402 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 42.4 t -65.08 149.29 50.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.254 -179.975 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.5 m -74.45 1.72 11.16 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.833 -0.622 . . . . 0.0 112.317 -179.912 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -111.92 140.25 23.19 Favored Pre-proline 0 CA--C 1.532 0.272 0 CA-C-O 121.044 0.449 . . . . 0.0 111.988 -178.951 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -55.49 137.57 78.05 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.551 2.167 . . . . 0.0 111.471 179.24 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.5 t 64.97 10.93 6.65 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 -179.336 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.402 ' HB1' ' HB3' ' A' ' 15' ' ' CYS . . . -103.42 124.67 49.14 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-O 120.792 0.329 . . . . 0.0 110.769 179.568 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.7 t -130.54 163.47 27.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.763 -179.775 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.0 t -70.49 140.06 51.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.996 0.427 . . . . 0.0 111.208 -179.845 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -134.52 126.03 28.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.399 179.963 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 13.2 m -96.69 130.33 43.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.208 -179.676 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.57 -8.91 57.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.223 179.497 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.537 ' CD2' ' CZ ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -142.77 -157.0 0.73 Allowed 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 179.666 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.537 ' CZ ' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.61 -68.62 0.18 Allowed 'General case' 0 N--CA 1.445 -0.677 0 CA-C-O 120.881 0.372 . . . . 0.0 110.371 179.597 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.9 p-10 -155.91 80.69 1.0 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.685 179.573 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.1 -70.73 0.16 Allowed 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -179.685 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -83.9 67.21 9.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.911 0.386 . . . . 0.0 111.158 -179.509 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.9 m -99.09 113.13 25.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.99 179.944 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -133.87 165.38 25.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.149 179.965 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.9 t -56.01 141.19 40.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.105 0.478 . . . . 0.0 111.274 -179.844 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.8 mmm-85 -142.17 125.12 16.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.133 179.338 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.4 mtmp? -84.54 19.97 1.83 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.824 -179.687 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 58.97 109.37 0.02 OUTLIER 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.16 0.505 . . . . 0.0 111.252 179.796 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.35 55.67 4.38 Favored Glycine 0 N--CA 1.451 -0.329 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.555 179.919 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -89.97 75.16 7.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.855 0.36 . . . . 0.0 110.598 179.841 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.82 -17.87 57.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.438 -179.999 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 43.6 tpp -84.76 -42.04 15.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.865 179.876 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -150.33 73.87 9.07 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.154 -179.972 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -79.48 162.88 24.72 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.7 2.267 . . . . 0.0 112.287 -179.999 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 48.4 m -82.17 -117.82 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.09 0 CA-C-O 121.203 0.525 . . . . 0.0 110.877 179.916 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.4 m -82.01 121.64 26.79 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.085 -179.758 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.7 tpp85 -155.09 60.74 0.65 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.824 179.89 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.854 -179.971 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.792 0.329 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.4 t -95.8 161.78 2.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.299 -179.756 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.7 mtt85 -78.22 -169.47 1.63 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.73 -179.463 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.9 tp -67.56 -30.21 69.78 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 120.804 0.335 . . . . 0.0 111.335 -179.508 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -154.89 69.87 0.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.228 179.884 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -140.59 163.11 33.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.658 179.584 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 40.1 t -72.54 153.7 41.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.456 ' O ' ' C ' ' A' ' 9' ' ' LEU . 25.5 p -108.63 1.05 21.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.499 179.914 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.9 OUTLIER 22.45 95.88 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 179.77 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 117.91 -24.88 8.68 Favored Glycine 0 C--N 1.33 0.215 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.643 179.749 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 74.45 -6.3 1.92 Allowed 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.78 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.12 34.94 1.49 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.912 0.387 . . . . 0.0 110.767 179.476 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.5 t -140.14 93.46 9.15 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.179 -179.8 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -62.98 152.38 79.67 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.325 2.017 . . . . 0.0 112.405 -179.895 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.7 t -65.65 146.23 55.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.57 -179.862 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 99.2 m -72.2 -10.34 59.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.376 179.476 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -99.41 135.26 20.72 Favored Pre-proline 0 C--O 1.234 0.246 0 CA-C-O 120.961 0.41 . . . . 0.0 112.016 -178.953 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -54.7 139.36 76.99 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.503 2.135 . . . . 0.0 111.511 179.207 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.5 t 66.15 7.64 4.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.253 -179.372 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -105.52 132.2 51.98 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 120.719 0.295 . . . . 0.0 110.839 179.555 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.6 t -139.26 147.14 41.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.048 -179.654 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 50.5 t -73.44 138.93 45.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.133 179.793 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.46 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -142.3 150.47 40.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.633 179.626 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 35.9 m -100.69 122.68 43.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.048 -179.872 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.44 -8.94 58.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.377 179.881 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.505 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -144.93 -155.97 0.66 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.968 179.656 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.505 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.17 -69.85 0.13 Allowed 'General case' 0 N--CA 1.445 -0.688 0 CA-C-O 120.86 0.362 . . . . 0.0 110.514 179.635 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -155.45 75.57 0.93 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.781 179.564 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.82 -59.35 0.14 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.572 -179.817 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.426 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 3.7 m-85 -85.1 55.47 3.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.114 -179.697 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.46 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 37.9 m -95.83 96.66 9.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.761 179.908 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -139.28 165.44 27.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.107 0.479 . . . . 0.0 111.708 -179.758 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 4.7 t -55.67 146.49 20.82 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.579 -179.795 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.459 ' CG ' ' CD1' ' A' ' 23' ' ' TYR . 4.8 mmm180 -138.67 128.24 24.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.164 179.293 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.49 10.02 9.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.932 -179.623 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.06 110.72 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 121.185 0.517 . . . . 0.0 111.221 179.808 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -83.08 55.63 5.04 Favored Glycine 0 N--CA 1.452 -0.277 0 CA-C-N 115.432 -0.804 . . . . 0.0 112.506 179.973 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.2 p -89.74 74.97 7.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.925 0.393 . . . . 0.0 110.678 179.897 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.86 -18.51 60.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.483 -179.954 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.63 -36.3 22.09 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.78 179.898 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -150.22 69.0 8.87 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -76.74 155.09 34.93 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.532 2.155 . . . . 0.0 112.204 179.917 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 41.7 m -81.9 -117.46 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.031 0 CA-C-O 121.217 0.532 . . . . 0.0 110.754 179.986 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.2 m -81.78 85.03 6.69 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.115 -179.68 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.45 96.09 1.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.762 179.915 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 62.8 m . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.992 179.962 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.449 0 CA-C-O 120.948 0.404 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.813 HG12 ' HA ' ' A' ' 15' ' ' CYS . 0.3 OUTLIER -94.98 177.95 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.699 179.682 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.438 ' H ' HG22 ' A' ' 2' ' ' VAL . 5.6 mmt180 -79.7 -163.56 0.54 Allowed 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.994 -179.49 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 40.0 tp -68.83 -39.69 79.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.392 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -155.85 77.69 0.97 Allowed 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 120.878 0.37 . . . . 0.0 111.849 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.721 ' CG ' HG22 ' A' ' 2' ' ' VAL . 7.0 pt-20 -140.51 174.31 10.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.561 179.103 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.89 143.02 51.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.881 0.372 . . . . 0.0 111.304 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' A' ' 9' ' ' LEU . 24.2 p -109.49 -2.57 17.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.226 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.624 HD12 ' O ' ' A' ' 9' ' ' LEU . 1.9 pp 22.32 99.52 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.48 -24.67 8.0 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.846 179.457 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 69.92 2.48 3.9 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.63 0.233 . . . . 0.0 111.63 -179.613 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.885 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -93.49 -10.28 35.48 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.694 0.283 . . . . 0.0 111.001 179.498 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.885 HG23 ' OE1' ' A' ' 12' ' ' GLN . 41.9 t -100.93 90.56 1.58 Allowed Pre-proline 0 C--N 1.333 -0.152 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.118 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.414 ' HD3' ' O ' ' A' ' 12' ' ' GLN . 28.7 Cg_endo -64.9 153.74 76.54 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.337 2.025 . . . . 0.0 112.089 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.813 ' HA ' HG12 ' A' ' 2' ' ' VAL . 6.1 t -66.11 136.0 55.36 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.474 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.488 ' HB2' ' O ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER -72.05 -7.15 47.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.08 179.126 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.489 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.5 OUTLIER -90.87 133.28 32.53 Favored Pre-proline 0 C--O 1.234 0.244 0 CA-C-O 120.988 0.423 . . . . 0.0 111.346 -179.622 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -53.74 134.9 60.69 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.575 2.183 . . . . 0.0 112.079 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 33.9 t 63.98 13.75 7.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.575 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -105.12 134.31 48.44 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 120.637 0.256 . . . . 0.0 110.901 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 t -137.7 146.39 43.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.254 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 5.4 t -73.05 131.54 42.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.199 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.442 ' CD1' ' HG3' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -131.44 148.01 52.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.484 179.602 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.443 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 40.2 m -99.66 128.12 45.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.129 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.17 -10.52 59.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.319 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.491 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.45 -154.76 0.56 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.888 179.72 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.491 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.65 -71.0 0.09 Allowed 'General case' 0 N--CA 1.445 -0.715 0 CA-C-O 120.912 0.387 . . . . 0.0 110.535 179.562 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -155.19 75.88 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.779 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -153.09 -61.57 0.15 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.856 0.36 . . . . 0.0 111.585 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.409 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 9.6 m-85 -84.33 59.02 5.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.832 -179.668 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.443 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 31.0 m -97.57 103.07 14.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -137.68 163.61 30.86 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.435 ' HB2' HG11 ' A' ' 2' ' ' VAL . 13.5 t -53.99 145.97 15.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.13 0.491 . . . . 0.0 111.384 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.442 ' HG3' ' CD1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -139.05 127.92 23.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.389 179.36 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.22 14.09 4.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.718 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.61 111.15 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 121.201 0.524 . . . . 0.0 111.205 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.16 54.51 3.53 Favored Glycine 0 N--CA 1.451 -0.308 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.581 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.6 p -91.28 77.11 5.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.934 0.397 . . . . 0.0 110.59 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.06 -17.13 50.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.61 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.8 ttm -84.03 -38.27 21.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.832 0.348 . . . . 0.0 110.784 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -150.26 69.41 8.93 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.758 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_endo -77.91 145.82 22.77 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.671 2.247 . . . . 0.0 112.533 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 36.6 m -82.29 -118.34 0.02 OUTLIER 'General case' 0 N--CA 1.435 -1.184 0 CA-C-O 121.285 0.564 . . . . 0.0 110.815 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.316 -0.853 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.989 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.415 ' HB3' ' O ' ' A' ' 14' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.474 0 CA-C-O 120.759 0.314 . . . . 0.0 110.931 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.747 HG12 ' HA ' ' A' ' 15' ' ' CYS . 0.8 OUTLIER -94.16 -179.35 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.578 179.522 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.574 ' H ' HG22 ' A' ' 2' ' ' VAL . 6.5 mtm180 -79.73 -169.36 1.93 Allowed 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.075 -179.207 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.586 HD12 ' CG ' ' A' ' 17' ' ' ASP . 6.6 tp -68.23 -33.94 75.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.229 -179.527 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.69 71.84 0.83 Allowed 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.057 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -138.92 167.51 21.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.683 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.4 p -65.54 142.52 58.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.731 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.842 ' C ' HD23 ' A' ' 9' ' ' LEU . 27.9 p -108.38 -20.34 13.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.318 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.842 HD23 ' C ' ' A' ' 8' ' ' CYS . 1.9 pt? 18.18 98.9 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.257 0.623 . . . . 0.0 112.649 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 147.48 -28.58 1.49 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.42 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 74.89 -31.56 0.21 Allowed 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.904 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -88.01 0.49 55.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.477 0.18 . . . . 0.0 111.42 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.904 HG23 ' OE1' ' A' ' 12' ' ' GLN . 27.1 t -105.29 86.41 1.64 Allowed Pre-proline 0 C--N 1.331 -0.209 0 CA-C-O 120.673 0.273 . . . . 0.0 111.261 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.415 ' O ' ' HB3' ' A' ' 1' ' ' CYS . 43.6 Cg_endo -69.7 158.35 57.33 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.467 2.112 . . . . 0.0 112.327 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.747 ' HA ' HG12 ' A' ' 2' ' ' VAL . 6.9 t -66.39 137.91 57.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.505 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.468 ' HB2' ' O ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER -72.77 -6.48 45.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.322 179.245 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.586 ' CG ' HD12 ' A' ' 4' ' ' LEU . 1.0 OUTLIER -91.67 135.52 27.61 Favored Pre-proline 0 C--O 1.233 0.224 0 CA-C-O 120.814 0.34 . . . . 0.0 111.679 -179.278 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -55.26 135.88 70.97 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.488 2.125 . . . . 0.0 111.689 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.9 t 63.66 13.98 7.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.839 -179.305 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -107.12 128.24 54.21 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-O 120.903 0.382 . . . . 0.0 111.048 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.3 t -134.84 143.3 46.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.65 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 29.6 t -71.7 149.16 45.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.967 0.413 . . . . 0.0 111.274 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.446 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -153.83 151.25 29.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.587 179.666 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 8.3 m -104.25 138.7 40.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.022 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.58 -11.0 60.47 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.242 179.621 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.491 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.38 -155.22 0.59 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.844 179.745 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.491 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.96 -66.82 0.36 Allowed 'General case' 0 N--CA 1.445 -0.724 0 CA-C-O 120.924 0.392 . . . . 0.0 110.554 179.531 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -156.08 83.44 1.0 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.636 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -150.82 -77.37 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.709 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.4 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 5.0 m-85 -84.39 71.53 10.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.891 0.377 . . . . 0.0 111.172 -179.457 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.3 m -98.3 108.58 21.31 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.963 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -137.12 171.14 14.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.058 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.412 ' SG ' ' HB1' ' A' ' 20' ' ' ALA . 14.1 t -61.51 145.24 52.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.42 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.446 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 17.0 ttt85 -136.67 117.79 14.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.237 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 38.4 mtpt -84.91 22.17 1.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.905 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 58.47 109.01 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 121.262 0.553 . . . . 0.0 111.305 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -82.16 53.93 4.81 Favored Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.478 -0.783 . . . . 0.0 112.641 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.4 p -91.78 76.8 5.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.894 0.378 . . . . 0.0 110.595 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.58 -16.99 53.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.483 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -84.09 -38.55 20.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.862 0.363 . . . . 0.0 110.797 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -150.19 69.41 8.98 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -78.01 158.44 30.69 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.614 2.21 . . . . 0.0 112.42 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 50.5 m -81.51 -116.64 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.051 0 CA-C-O 121.154 0.502 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.6 m . . . . . 0 C--N 1.315 -0.909 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.053 -179.846 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.43 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.449 0 CA-C-O 120.757 0.313 . . . . 0.0 110.925 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.509 HG21 ' HB3' ' A' ' 8' ' ' CYS . 3.1 t -94.04 164.62 2.06 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.274 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.638 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.454 ' H ' HG12 ' A' ' 2' ' ' VAL . 3.4 mtt85 -78.57 -166.38 0.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.925 -179.082 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 tp -68.66 -34.47 75.76 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.425 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.91 68.03 0.7 Allowed 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.181 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -140.32 158.31 44.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.599 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.6 t -60.14 151.55 26.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.608 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.509 ' HB3' HG21 ' A' ' 2' ' ' VAL . 20.9 p -107.66 -26.94 10.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.217 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.578 HD12 ' O ' ' A' ' 9' ' ' LEU . 1.6 pp 23.7 93.07 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.285 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.6 -22.62 0.25 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.733 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 74.59 -51.7 0.68 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.675 0.238 . . . . 0.0 111.471 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -90.55 36.92 0.9 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.843 0.354 . . . . 0.0 111.067 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.5 t -136.98 83.2 28.87 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.036 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.415 ' O ' ' HB3' ' A' ' 1' ' ' CYS . 58.8 Cg_endo -72.76 163.75 37.54 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.607 2.205 . . . . 0.0 112.241 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.7 t -63.89 140.37 58.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.275 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.43 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.65 -4.15 29.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.764 179.718 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.495 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 4.0 m-20 -96.87 141.95 23.82 Favored Pre-proline 0 C--O 1.233 0.228 0 CA-C-O 120.999 0.428 . . . . 0.0 111.755 -179.171 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -56.0 134.93 67.12 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.644 2.229 . . . . 0.0 111.765 179.419 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 47.0 t 64.14 12.74 7.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.072 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -105.51 130.12 53.65 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 120.919 0.39 . . . . 0.0 110.863 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.0 t -136.02 150.0 49.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.729 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.4 t -71.21 107.54 4.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.977 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -98.81 140.88 32.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.818 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 78.2 m -107.94 118.49 36.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.661 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.41 ' HB2' ' CB ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -73.06 -10.01 59.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.549 -179.789 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.494 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.67 -160.05 1.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 179.604 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.494 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -57.12 -67.26 0.33 Allowed 'General case' 0 N--CA 1.445 -0.707 0 CA-C-O 120.967 0.413 . . . . 0.0 110.386 179.657 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -154.17 74.07 0.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.762 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.06 -60.83 0.16 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.766 0.317 . . . . 0.0 111.51 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.414 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 82.9 m-85 -85.22 54.23 3.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.012 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 83.3 m -97.33 98.94 10.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.856 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -137.1 165.49 25.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.135 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.5 t -57.15 139.36 52.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.061 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -141.56 123.67 15.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.396 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.12 24.65 1.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.676 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 59.74 110.3 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 121.255 0.55 . . . . 0.0 111.025 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -82.19 52.38 4.63 Favored Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 115.419 -0.809 . . . . 0.0 112.763 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 37.4 p -92.97 78.65 4.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.947 0.403 . . . . 0.0 110.399 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.52 -15.32 26.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.696 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.8 tpp -83.7 -38.35 21.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.784 0.326 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -150.47 68.15 8.38 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.167 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -76.21 158.87 37.32 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.661 2.24 . . . . 0.0 112.353 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 48.0 m -81.8 -116.88 0.02 OUTLIER 'General case' 0 N--CA 1.439 -1.008 0 CA-C-O 121.202 0.525 . . . . 0.0 110.865 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 C--N 1.315 -0.904 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.055 -179.814 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.516 0 CA-C-O 120.828 0.347 . . . . 0.0 111.054 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.652 HG12 ' HA ' ' A' ' 15' ' ' CYS . 1.4 p -95.51 179.33 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.727 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.644 ' H ' HG22 ' A' ' 2' ' ' VAL . 23.7 mtt180 -79.29 -168.12 1.4 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.822 0.344 . . . . 0.0 111.487 -178.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.879 HD12 ' OD2' ' A' ' 17' ' ' ASP . 3.2 tp -68.05 -36.91 80.67 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.471 -179.428 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.46 ' CE1' HD23 ' A' ' 4' ' ' LEU . 0.3 OUTLIER -153.28 69.61 0.83 Allowed 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.243 -179.914 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -140.21 169.11 18.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.505 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.4 t -71.06 138.53 49.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.519 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.473 ' O ' ' C ' ' A' ' 9' ' ' LEU . 28.0 p -108.97 -24.02 11.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.379 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.608 HD12 ' O ' ' A' ' 9' ' ' LEU . 1.5 pp 23.96 91.52 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 122.875 0.47 . . . . 0.0 111.972 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 172.78 -23.91 0.08 OUTLIER Glycine 0 CA--C 1.519 0.287 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.942 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 75.26 -52.71 0.66 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.729 0.265 . . . . 0.0 111.583 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.848 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -87.23 9.25 20.78 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.549 0.203 . . . . 0.0 111.549 -179.799 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.848 HG23 ' OE1' ' A' ' 12' ' ' GLN . 24.0 t -105.76 84.95 1.34 Allowed Pre-proline 0 C--N 1.332 -0.194 0 CA-C-O 120.668 0.27 . . . . 0.0 111.084 179.674 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -70.28 160.12 50.64 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.472 2.115 . . . . 0.0 112.257 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.652 ' HA ' HG12 ' A' ' 2' ' ' VAL . 9.4 t -64.18 141.69 58.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.229 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER -71.74 -6.89 44.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.465 179.666 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.879 ' OD2' HD12 ' A' ' 4' ' ' LEU . 76.7 m-20 -88.69 142.44 30.82 Favored Pre-proline 0 C--O 1.233 0.186 0 CA-C-O 120.835 0.35 . . . . 0.0 111.519 -179.572 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -55.24 133.95 61.02 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.604 2.203 . . . . 0.0 111.88 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 59.0 15.67 4.14 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.409 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -102.33 134.42 45.65 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.85 0.357 . . . . 0.0 110.801 179.551 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.6 t -135.49 149.19 49.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -72.27 145.69 47.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.011 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.408 ' CD2' ' HG3' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -141.6 142.31 33.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.593 179.849 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 27.8 m -103.06 133.15 48.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.18 -9.94 59.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.302 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.491 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.06 -156.35 0.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.746 179.732 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.491 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.04 -68.03 0.24 Allowed 'General case' 0 N--CA 1.446 -0.654 0 CA-C-O 120.936 0.398 . . . . 0.0 110.392 179.508 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -156.03 80.24 0.99 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.722 179.526 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.87 -71.72 0.16 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.753 0.311 . . . . 0.0 111.771 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -83.9 68.57 10.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.045 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.5 m -100.19 111.07 23.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -136.99 167.95 20.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.941 0.401 . . . . 0.0 111.027 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.444 ' HB2' ' CG1' ' A' ' 2' ' ' VAL . 29.3 t -55.39 144.07 26.65 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.601 -179.581 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.408 ' HG3' ' CD2' ' A' ' 23' ' ' TYR . 14.5 ttt180 -135.33 114.88 12.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.362 179.436 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.45 11.79 7.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.839 -179.591 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 60.49 110.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.19 0.519 . . . . 0.0 111.196 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -80.19 55.44 4.59 Favored Glycine 0 N--CA 1.45 -0.384 0 CA-C-N 115.497 -0.774 . . . . 0.0 112.592 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.6 p -89.49 75.31 7.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.94 0.4 . . . . 0.0 110.557 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.64 -18.7 60.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.486 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.2 mtt -84.95 -34.21 22.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.706 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -150.17 65.98 7.63 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.838 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -79.59 167.41 20.87 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.615 2.21 . . . . 0.0 112.202 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 36.4 m -82.3 -119.34 0.02 OUTLIER 'General case' 0 N--CA 1.436 -1.146 0 CA-C-O 121.233 0.54 . . . . 0.0 110.705 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.316 -0.879 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.927 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.44 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.502 0 CA-C-O 120.741 0.305 . . . . 0.0 110.843 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.53 HG12 ' HB3' ' A' ' 6' ' ' GLU . 2.6 t -94.07 160.75 2.67 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.311 0 CA-C-O 121.031 0.444 . . . . 0.0 111.106 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.63 -169.88 2.36 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.977 -179.589 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.6 tp -68.76 -22.15 64.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.502 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -155.84 71.11 0.73 Allowed 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 120.97 0.414 . . . . 0.0 111.252 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.53 ' HB3' HG12 ' A' ' 2' ' ' VAL . 12.8 tp10 -140.28 156.91 46.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.696 179.703 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.05 150.47 28.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.235 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 9' ' ' LEU . 7.0 p -111.97 -18.59 12.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.208 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.449 HD12 ' O ' ' A' ' 9' ' ' LEU . 1.3 pp 26.74 93.75 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 122.994 0.518 . . . . 0.0 112.289 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 134.33 -22.99 3.69 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.433 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 72.29 -3.07 2.38 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.401 ' CD ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -95.15 20.32 9.31 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.672 0.272 . . . . 0.0 110.965 179.466 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.463 HG12 ' CG2' ' A' ' 2' ' ' VAL . 13.6 t -142.04 87.87 9.55 Favored Pre-proline 0 C--N 1.331 -0.203 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.205 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -73.33 161.07 43.61 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.564 2.176 . . . . 0.0 112.444 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.1 t -64.7 133.73 52.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.309 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.44 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -73.25 -3.76 28.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.479 179.395 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.516 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -92.45 140.03 24.02 Favored Pre-proline 0 C--O 1.234 0.284 0 CA-C-O 120.911 0.386 . . . . 0.0 111.607 -179.405 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -55.62 134.72 65.66 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.62 2.213 . . . . 0.0 111.769 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.7 t 64.2 13.22 7.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.041 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -106.32 131.16 53.87 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-O 120.801 0.334 . . . . 0.0 110.921 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.8 t -136.2 141.79 44.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.942 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.7 t -73.54 109.74 7.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.068 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.469 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 0.4 OUTLIER -108.18 149.26 28.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.61 179.749 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 8.4 m -101.85 140.76 35.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.18 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.89 -10.44 59.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.104 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.498 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.09 -155.06 0.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.751 179.664 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.498 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.3 -66.71 0.39 Allowed 'General case' 0 N--CA 1.444 -0.746 0 CA-C-O 120.947 0.403 . . . . 0.0 110.428 179.551 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 21.9 p-10 -156.39 83.66 0.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.684 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -150.81 -79.91 0.12 Allowed 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.468 ' CD2' ' CE1' ' A' ' 32' ' ' TYR . 1.8 t80 -84.11 76.76 10.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 111.12 -179.544 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 12.3 m -101.29 115.08 29.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.158 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.491 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.6 OUTLIER -136.95 160.31 39.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.812 179.788 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.9 t -53.27 140.42 26.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.097 0.475 . . . . 0.0 111.356 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.469 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 2.9 ttt180 -135.87 127.02 28.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.418 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.24 18.68 2.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.898 -179.598 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 58.94 109.39 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 121.205 0.526 . . . . 0.0 111.276 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.59 56.11 4.46 Favored Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.521 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -89.95 75.49 7.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.934 0.397 . . . . 0.0 110.697 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.98 -17.36 56.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.495 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.1 ttm -84.65 -41.57 16.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.841 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -149.72 73.12 9.68 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.94 158.56 34.56 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.577 2.184 . . . . 0.0 112.363 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 40.0 m -82.21 -117.62 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.093 0 CA-C-O 121.274 0.559 . . . . 0.0 110.93 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.317 -0.808 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.088 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 14' ' ' PRO . 1.9 p . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.754 0.312 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.546 ' CG2' HG12 ' A' ' 13' ' ' VAL . 3.3 t -95.86 165.41 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.458 -179.643 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.488 ' H ' HG12 ' A' ' 2' ' ' VAL . 3.7 mtp180 -76.68 -163.09 0.3 Allowed 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.867 -179.463 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.9 tp -67.36 -33.33 75.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.232 -179.471 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -155.25 52.98 0.62 Allowed 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.42 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -105.33 -178.73 3.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.618 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.6 t -96.9 145.24 26.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.443 ' O ' ' C ' ' A' ' 9' ' ' LEU . 26.8 p -110.05 -22.48 11.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.191 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.61 HD12 ' O ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER 25.25 94.81 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.07 -21.31 5.25 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.532 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 70.93 0.99 3.59 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.77 22.89 6.74 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.6 0.238 . . . . 0.0 110.859 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.546 HG12 ' CG2' ' A' ' 2' ' ' VAL . 30.9 t -141.81 92.29 7.93 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.325 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.432 ' O ' ' HB2' ' A' ' 1' ' ' CYS . 37.9 Cg_endo -68.36 155.5 69.0 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.35 2.034 . . . . 0.0 112.313 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.5 t -66.87 142.06 57.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.446 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 66.4 m -72.13 -8.51 55.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.285 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.587 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 9.8 t70 -97.23 132.77 24.93 Favored Pre-proline 0 C--O 1.235 0.297 0 CA-C-O 120.923 0.392 . . . . 0.0 112.021 -178.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -54.87 139.0 78.51 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.539 2.159 . . . . 0.0 111.402 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.1 t 65.8 9.32 5.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.084 -179.327 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -104.59 128.18 52.52 Favored 'General case' 0 N--CA 1.457 -0.08 0 CA-C-O 120.831 0.348 . . . . 0.0 110.563 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.2 t -132.2 146.91 52.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.922 0.391 . . . . 0.0 111.044 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.8 t -73.31 144.71 46.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.273 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.463 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 0.3 OUTLIER -147.81 147.53 29.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.581 179.503 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 17.8 m -101.62 132.47 47.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.102 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.06 -9.63 58.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.351 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.501 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -144.53 -155.0 0.57 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.847 179.645 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.501 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.76 -69.88 0.13 Allowed 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 120.929 0.395 . . . . 0.0 110.359 179.526 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -155.75 79.45 1.0 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.624 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.27 -67.92 0.16 Allowed 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.412 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 2.6 m-85 -84.23 65.04 8.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.833 0.349 . . . . 0.0 111.049 -179.539 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 22.7 m -98.01 107.94 20.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.826 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -136.86 168.82 18.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.095 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.409 ' SG ' ' HB1' ' A' ' 20' ' ' ALA . 4.6 t -62.9 147.13 51.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.219 -179.751 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.463 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 3.3 tmm_? -138.39 119.71 14.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.302 179.415 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.7 mtpp -84.38 17.76 2.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.81 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 60.07 110.74 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 121.21 0.529 . . . . 0.0 111.139 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.27 54.58 4.3 Favored Glycine 0 N--CA 1.45 -0.384 0 CA-C-N 115.437 -0.801 . . . . 0.0 112.649 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.89 76.1 6.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.934 0.397 . . . . 0.0 110.615 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.55 -17.57 55.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.498 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.58 -40.97 16.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.845 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 -150.08 71.35 9.38 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.945 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -81.4 157.92 19.58 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.646 2.231 . . . . 0.0 112.354 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 45.8 m -82.31 -118.1 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.095 0 CA-C-O 121.166 0.508 . . . . 0.0 110.717 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.315 -0.921 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.104 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 3.1 p . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.998 0.428 . . . . 0.0 111.267 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.635 ' HB ' HG12 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -102.24 170.83 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.909 179.699 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.535 ' O ' HG13 ' A' ' 2' ' ' VAL . 0.2 OUTLIER -80.03 -179.89 7.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.987 -179.44 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.524 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 15.2 tp -71.84 -54.95 8.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -86.06 47.51 1.47 Allowed 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.404 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -142.3 167.08 22.95 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.054 0.454 . . . . 0.0 111.544 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.502 ' HA ' ' HA ' ' A' ' 32' ' ' TYR . 82.4 p -107.16 170.87 7.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.613 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 9' ' ' LEU . 19.5 p -120.78 -11.36 9.01 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.819 -179.692 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 8' ' ' CYS . 4.9 tp 25.85 84.72 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 133.19 -11.6 5.03 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.654 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.79 15.25 8.9 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.61 0.243 . . . . 0.0 111.432 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.466 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -95.35 -28.92 14.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.776 0.322 . . . . 0.0 111.007 179.643 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.635 HG12 ' HB ' ' A' ' 2' ' ' VAL . 23.5 t -102.81 89.47 1.86 Allowed Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.525 -179.636 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -67.94 157.19 62.89 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.362 2.041 . . . . 0.0 112.386 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.41 ' HA ' HG12 ' A' ' 2' ' ' VAL . 6.5 t -65.7 142.11 58.13 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.37 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 55.0 m -71.92 -8.33 53.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.424 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.507 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 13.4 t70 -88.13 137.23 31.3 Favored Pre-proline 0 C--O 1.234 0.287 0 CA-C-O 120.968 0.414 . . . . 0.0 111.937 -178.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -55.88 135.42 69.55 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.593 2.195 . . . . 0.0 111.66 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.442 ' O ' HD12 ' A' ' 36' ' ' LEU . 49.2 t 64.37 12.81 7.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.123 -179.52 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -104.12 105.42 15.58 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 120.967 0.413 . . . . 0.0 110.86 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 t -107.72 157.47 18.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.621 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.4 t -73.41 104.95 4.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.018 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.426 ' HB3' ' HB2' ' A' ' 34' ' ' ARG . 34.7 t80 -96.3 141.05 30.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.758 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 12.6 m -106.86 136.26 47.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.66 -11.05 60.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.222 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.5 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.75 -155.77 0.64 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.801 179.667 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.5 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.44 -66.04 0.51 Allowed 'General case' 0 N--CA 1.445 -0.695 0 CA-C-O 120.86 0.362 . . . . 0.0 110.484 179.536 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 -156.01 83.54 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.703 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -150.56 -76.69 0.14 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.644 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.414 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -84.47 69.09 10.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.969 0.414 . . . . 0.0 111.134 -179.576 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 38.0 m -97.66 108.98 21.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.502 ' HA ' ' HA ' ' A' ' 7' ' ' SER . 4.5 p90 -137.95 177.38 7.92 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.418 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.524 ' HB3' ' O ' ' A' ' 4' ' ' LEU . 53.8 t -51.23 128.14 21.32 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.603 -179.667 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.426 ' HB2' ' HB3' ' A' ' 23' ' ' TYR . 1.4 tpt180 -141.44 132.18 25.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.41 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -83.6 35.87 0.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.442 HD12 ' O ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER 54.89 107.4 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 121.172 0.51 . . . . 0.0 111.398 179.512 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.25 55.58 1.92 Allowed Glycine 0 N--CA 1.452 -0.275 0 CA-C-N 115.641 -0.708 . . . . 0.0 112.59 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.43 77.77 5.06 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.89 0.376 . . . . 0.0 110.624 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.17 -16.73 47.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.551 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.0 mmt -84.43 -45.98 12.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.867 0.365 . . . . 0.0 110.901 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -150.12 74.59 9.12 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.96 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -84.2 163.0 13.32 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.77 2.314 . . . . 0.0 112.544 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 46.8 m -82.03 -117.44 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.05 0 CA-C-O 121.188 0.518 . . . . 0.0 110.77 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.316 -0.884 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.067 -179.854 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.419 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.431 0 CA-C-O 120.657 0.265 . . . . 0.0 110.892 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.64 HG23 HG12 ' A' ' 13' ' ' VAL . 16.6 t -94.16 160.33 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.909 0.385 . . . . 0.0 110.989 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.491 ' N ' HG12 ' A' ' 2' ' ' VAL . 25.3 mtt180 -79.51 -166.93 1.06 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.259 -179.234 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.443 HD11 ' HE2' ' A' ' 35' ' ' LYS . 1.2 tp -69.93 -24.08 63.31 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.374 -179.601 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -156.29 70.9 0.69 Allowed 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.001 0.429 . . . . 0.0 111.008 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -139.13 157.62 45.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.671 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 87.8 p -75.3 153.22 38.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.204 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.736 ' C ' HD23 ' A' ' 9' ' ' LEU . 31.2 p -118.94 0.73 11.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.379 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.736 HD23 ' C ' ' A' ' 8' ' ' CYS . 1.3 pt? 15.57 106.77 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.53 -17.03 34.02 Favored Glycine 0 CA--C 1.519 0.318 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.689 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 67.91 6.98 5.45 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.04 17.47 10.75 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.634 0.254 . . . . 0.0 110.874 179.708 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.64 HG12 HG23 ' A' ' 2' ' ' VAL . 31.4 t -141.6 87.96 9.96 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.065 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -67.9 158.84 55.55 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.469 2.113 . . . . 0.0 112.132 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.0 t -64.16 135.17 56.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.296 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.419 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -71.83 -6.43 41.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.312 179.304 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.411 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.5 OUTLIER -86.03 143.33 37.24 Favored Pre-proline 0 CA--C 1.531 0.231 0 CA-C-O 120.843 0.354 . . . . 0.0 111.291 -179.565 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -54.75 133.33 56.75 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.509 2.14 . . . . 0.0 112.016 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 59.12 16.1 4.56 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.644 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -101.72 133.24 46.75 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 120.879 0.371 . . . . 0.0 110.947 179.578 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.0 t -134.79 141.45 46.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.978 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 45.6 t -73.18 118.11 15.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.045 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.461 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -115.1 155.74 26.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.927 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.4 m -108.89 132.5 53.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.942 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.05 -12.39 60.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.187 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.488 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -146.08 -156.86 0.75 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.888 179.684 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.488 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.61 -66.88 0.37 Allowed 'General case' 0 N--CA 1.446 -0.663 0 CA-C-O 120.857 0.36 . . . . 0.0 110.528 179.576 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -155.09 79.97 1.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.705 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.1 -70.76 0.16 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.487 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -84.51 64.54 8.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.958 0.409 . . . . 0.0 110.961 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 59.8 m -98.42 104.18 16.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.462 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 1.3 p90 -138.3 167.95 20.77 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.967 0.413 . . . . 0.0 111.269 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.5 t -56.15 139.73 46.45 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.492 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.461 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 70.3 ttt180 -139.3 114.54 9.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.293 179.122 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.443 ' HE2' HD11 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -84.46 35.58 0.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.64 -179.452 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 56.88 108.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.198 0.523 . . . . 0.0 111.321 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -72.49 54.74 1.6 Allowed Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.66 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.69 76.23 6.49 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.898 0.38 . . . . 0.0 110.561 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.46 -16.96 52.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.613 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 7.0 ttm -84.36 -41.55 16.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.846 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 62.9 m-20 -150.17 72.5 9.33 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -78.83 169.89 18.85 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.715 2.276 . . . . 0.0 112.245 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 36.9 m -82.59 -119.06 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.088 0 CA-C-O 121.266 0.555 . . . . 0.0 110.687 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.317 -0.835 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.979 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.437 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.489 0 CA-C-O 120.722 0.296 . . . . 0.0 110.96 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.573 HG21 ' HB3' ' A' ' 8' ' ' CYS . 6.8 t -94.34 161.56 2.56 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.281 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.94 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.479 ' N ' HG12 ' A' ' 2' ' ' VAL . 14.2 mtt180 -79.47 -166.78 1.03 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.029 -179.372 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 tp -69.05 -27.95 66.1 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.225 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -155.64 72.53 0.8 Allowed 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 121.056 0.455 . . . . 0.0 111.042 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -139.29 163.86 31.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.705 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.3 p -80.09 149.31 30.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.772 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.573 ' HB3' HG21 ' A' ' 2' ' ' VAL . 7.4 p -109.35 -24.02 11.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.268 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.482 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.3 OUTLIER 22.54 82.09 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.983 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 164.47 -25.03 0.18 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.742 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 77.34 -38.42 0.29 Allowed 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.8 pm0 -89.22 34.76 0.8 Allowed 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 120.685 0.278 . . . . 0.0 111.346 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.9 t -141.35 82.3 14.61 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.003 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.4 ' O ' ' HB3' ' A' ' 1' ' ' CYS . 57.2 Cg_endo -72.64 162.02 42.42 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.5 2.134 . . . . 0.0 112.328 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.5 t -64.25 137.19 57.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.347 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.437 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.72 -5.46 37.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.542 179.37 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.472 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 47.2 m-20 -90.55 143.42 29.13 Favored Pre-proline 0 C--O 1.233 0.201 0 CA-C-O 121.006 0.431 . . . . 0.0 111.757 -179.345 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -56.41 132.45 51.93 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.612 2.208 . . . . 0.0 111.81 179.442 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.1 t 62.51 16.32 8.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.066 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -105.69 130.68 53.66 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-O 120.786 0.326 . . . . 0.0 110.946 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.9 t -136.82 144.17 43.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.6 t -72.12 128.67 36.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.026 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.455 ' CE1' ' HG3' ' A' ' 34' ' ' ARG . 0.5 OUTLIER -128.7 146.65 50.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.77 179.783 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 7.5 m -100.11 140.37 34.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.0 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 -72.34 -10.56 59.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.322 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.491 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.31 -155.02 0.57 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.816 179.647 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.491 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.05 -65.91 0.52 Allowed 'General case' 0 N--CA 1.445 -0.725 0 CA-C-O 120.903 0.382 . . . . 0.0 110.577 179.622 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -156.8 84.29 0.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.706 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -149.9 -82.57 0.1 Allowed 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -84.98 80.4 9.3 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.884 0.373 . . . . 0.0 111.291 -179.528 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 9.9 m -102.49 114.66 29.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.065 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.478 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.5 OUTLIER -136.2 163.81 29.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.084 179.895 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.6 t -54.74 141.19 33.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.566 -179.559 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.455 ' HG3' ' CE1' ' A' ' 23' ' ' TYR . 1.8 tmm_? -139.14 123.52 18.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.304 179.268 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.95 25.37 0.95 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.828 -179.538 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 56.88 108.29 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 121.15 0.5 . . . . 0.0 111.312 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.68 55.66 3.4 Favored Glycine 0 N--CA 1.452 -0.296 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.583 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.9 p -91.0 75.94 6.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.973 0.416 . . . . 0.0 110.645 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.59 -17.31 54.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.482 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 6.3 ttm -84.76 -38.89 19.09 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.929 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -150.56 71.71 9.0 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.077 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.74 155.82 39.63 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.596 2.198 . . . . 0.0 112.414 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 42.1 m -82.45 -117.98 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.082 0 CA-C-O 121.267 0.556 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.317 -0.841 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.036 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.456 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.463 0 CA-C-O 120.777 0.322 . . . . 0.0 110.898 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.535 HG21 ' HB3' ' A' ' 8' ' ' CYS . 2.8 t -94.14 164.47 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.787 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.451 ' H ' HG12 ' A' ' 2' ' ' VAL . 17.8 mtt180 -78.71 -165.22 0.69 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.055 -179.293 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.0 tp -68.57 -40.95 80.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.032 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -155.63 65.82 0.61 Allowed 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -138.86 169.44 17.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.645 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 67.9 m -61.43 144.82 53.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.773 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.535 ' HB3' HG21 ' A' ' 2' ' ' VAL . 23.9 p -108.82 -23.67 11.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.162 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.446 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.3 OUTLIER 23.42 94.49 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 116.036 -0.529 . . . . 0.0 112.321 179.902 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 163.24 -23.69 0.19 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.775 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 74.03 -54.41 0.68 Allowed 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.598 0.199 . . . . 0.0 111.521 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.851 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -87.59 11.6 14.59 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.594 0.22 . . . . 0.0 111.594 -179.803 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.851 HG23 ' OE1' ' A' ' 12' ' ' GLN . 41.3 t -104.93 86.39 1.49 Allowed Pre-proline 0 C--N 1.332 -0.183 0 CA-C-O 120.715 0.293 . . . . 0.0 111.052 179.598 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -69.42 161.22 46.74 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.469 2.112 . . . . 0.0 112.198 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.7 t -63.64 140.14 58.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.198 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.456 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -71.87 -5.99 38.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.536 179.772 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.516 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.7 OUTLIER -95.67 138.26 21.81 Favored Pre-proline 0 C--O 1.234 0.25 0 CA-C-O 120.915 0.388 . . . . 0.0 111.554 -179.429 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -54.62 135.17 65.82 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.517 2.145 . . . . 0.0 111.864 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 37.0 t 64.15 13.53 7.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.222 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -106.12 133.88 50.13 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-O 120.726 0.298 . . . . 0.0 110.908 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.8 t -136.4 147.0 47.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 46.1 t -70.6 116.79 11.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.95 0.405 . . . . 0.0 111.206 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -108.76 145.71 34.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.572 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 63.4 m -108.9 126.81 53.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.79 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.408 ' HB3' ' NH1' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -72.71 -12.64 61.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.854 0.359 . . . . 0.0 111.514 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.486 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -146.21 -158.53 0.91 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.926 179.656 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.486 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.85 -65.93 0.53 Allowed 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 120.981 0.419 . . . . 0.0 110.549 179.598 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -155.1 78.42 1.03 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.728 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.06 -69.57 0.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.435 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -84.53 62.45 7.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.933 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 83.2 m -98.56 101.22 12.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.831 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -136.46 164.33 28.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.828 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 10.5 t -53.69 145.06 16.31 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.023 0.439 . . . . 0.0 111.251 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.1 ttt85 -139.26 119.64 13.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.343 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.2 mtpp -84.49 12.36 7.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.699 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 61.03 111.44 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 121.134 0.492 . . . . 0.0 111.18 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.29 54.07 3.55 Favored Glycine 0 N--CA 1.451 -0.325 0 CA-C-N 115.44 -0.8 . . . . 0.0 112.762 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 58.5 p -90.76 77.08 6.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.823 0.344 . . . . 0.0 110.569 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.15 -16.34 43.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.626 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.7 ttm -84.08 -36.8 22.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.785 0.326 . . . . 0.0 110.708 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -150.16 67.74 8.45 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.806 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.68 147.37 27.8 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.631 2.221 . . . . 0.0 112.421 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 39.6 m -82.07 -117.22 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.117 0 CA-C-O 121.188 0.518 . . . . 0.0 110.751 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.2 m . . . . . 0 C--N 1.314 -0.936 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.028 -179.83 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.405 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.435 0 CA-C-O 120.755 0.312 . . . . 0.0 110.91 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.583 HG23 HG12 ' A' ' 13' ' ' VAL . 14.3 t -93.46 162.76 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.908 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.503 ' N ' HG12 ' A' ' 2' ' ' VAL . 15.5 mtt85 -78.66 -164.72 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.201 -179.115 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.617 HD11 ' HE2' ' A' ' 35' ' ' LYS . 2.2 tp -68.55 -29.04 67.51 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.339 -179.513 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -156.66 75.72 0.86 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.215 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -139.47 162.01 36.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.629 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.1 m -76.47 145.51 39.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.989 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.75 ' C ' HD23 ' A' ' 9' ' ' LEU . 25.4 p -112.35 4.35 17.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.499 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.75 HD23 ' C ' ' A' ' 8' ' ' CYS . 1.2 pt? 15.01 104.36 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.585 0.754 . . . . 0.0 112.994 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.67 -18.11 22.64 Favored Glycine 0 CA--C 1.518 0.26 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.65 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 65.94 11.98 8.08 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.624 0.25 . . . . 0.0 111.418 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.798 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -93.65 -20.41 20.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.705 0.288 . . . . 0.0 110.871 179.636 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.798 HG23 ' OE1' ' A' ' 12' ' ' GLN . 22.8 t -101.34 90.68 1.78 Allowed Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.26 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.411 ' HD3' ' O ' ' A' ' 12' ' ' GLN . 40.0 Cg_endo -67.95 158.59 56.69 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.338 2.025 . . . . 0.0 112.05 179.711 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.444 ' SG ' ' HB1' ' A' ' 20' ' ' ALA . 18.0 t -65.13 134.97 54.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.262 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.405 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.99 -1.4 16.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.806 179.555 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.564 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 23.2 m-20 -96.53 140.73 22.33 Favored Pre-proline 0 C--O 1.234 0.267 0 CA-C-O 120.967 0.413 . . . . 0.0 111.803 -179.22 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -55.74 135.13 67.99 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.643 2.229 . . . . 0.0 111.631 179.439 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.8 t 63.42 14.23 7.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.811 -179.323 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.564 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -104.05 125.49 50.43 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-O 120.886 0.374 . . . . 0.0 110.961 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.1 t -131.72 148.7 52.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.728 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.1 t -71.4 116.43 11.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.156 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.407 ' HB3' ' HB2' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -116.11 147.1 41.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.447 179.786 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 19.3 m -106.54 133.56 51.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.956 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.41 ' HB2' ' HB2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -72.99 -10.32 59.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.359 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.489 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.37 -156.55 0.71 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.907 179.601 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.489 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.4 -67.64 0.28 Allowed 'General case' 0 N--CA 1.445 -0.686 0 CA-C-O 120.847 0.356 . . . . 0.0 110.355 179.487 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -155.0 81.23 1.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.716 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.31 -73.2 0.16 Allowed 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.41 ' HB2' ' HB2' ' A' ' 25' ' ' ARG . 68.4 m-85 -83.91 67.24 9.52 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.886 0.374 . . . . 0.0 111.054 -179.609 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 56.1 m -97.75 105.03 17.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -135.28 171.83 13.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.156 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.0 t -58.77 139.25 56.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.165 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.407 ' HB2' ' HB3' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -141.37 119.17 11.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.362 179.371 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.617 ' HE2' HD11 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -85.35 23.69 1.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.743 -179.664 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 58.73 109.8 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.157 0.503 . . . . 0.0 111.265 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -80.99 54.86 4.76 Favored Glycine 0 N--CA 1.451 -0.308 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.701 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 31.8 p -92.53 78.24 4.96 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-O 120.964 0.412 . . . . 0.0 110.43 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.56 -14.91 22.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.794 -179.47 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 18.5 ttm -83.1 -39.12 21.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.833 0.349 . . . . 0.0 110.87 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.5 m-20 -151.85 70.28 7.89 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.203 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -73.42 160.27 44.97 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.546 2.164 . . . . 0.0 112.13 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 48.4 m -81.76 -116.81 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.087 0 CA-C-O 121.181 0.515 . . . . 0.0 110.833 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.4 t . . . . . 0 C--N 1.315 -0.892 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.045 -179.768 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.427 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.445 0 CA-C-O 120.705 0.288 . . . . 0.0 110.994 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.543 ' CG2' HG12 ' A' ' 13' ' ' VAL . 5.0 t -93.55 163.4 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.741 179.719 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.468 ' N ' HG12 ' A' ' 2' ' ' VAL . 40.6 mtt180 -78.54 -165.04 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 -179.187 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.425 HD11 ' HD2' ' A' ' 35' ' ' LYS . 6.1 tp -68.5 -34.94 76.79 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.173 -179.612 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.86 75.33 0.96 Allowed 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.051 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -138.75 165.12 27.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.579 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 52.4 p -75.96 145.21 40.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.98 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 9' ' ' LEU . 31.4 p -108.04 -23.85 11.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.013 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.536 HD12 ' O ' ' A' ' 9' ' ' LEU . 1.4 pp 23.53 94.73 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.12 0.568 . . . . 0.0 112.517 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 146.1 -27.47 1.72 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.466 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 76.48 -23.24 0.25 Allowed 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.468 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -94.6 32.25 1.63 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.735 0.303 . . . . 0.0 111.049 179.609 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.543 HG12 ' CG2' ' A' ' 2' ' ' VAL . 24.8 t -140.53 83.23 15.19 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.977 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.402 ' O ' ' HB3' ' A' ' 1' ' ' CYS . 45.7 Cg_endo -70.85 158.23 56.1 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.452 2.101 . . . . 0.0 112.291 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.7 t -65.29 137.47 57.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.322 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.427 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.31 -6.29 42.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.36 179.422 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.486 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 4.9 m-20 -91.72 141.33 25.55 Favored Pre-proline 0 C--O 1.234 0.24 0 CA-C-O 120.831 0.348 . . . . 0.0 111.696 -179.355 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -56.48 133.43 57.99 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.608 2.206 . . . . 0.0 111.729 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 45.2 t 63.65 14.33 8.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -105.3 132.03 52.0 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-O 120.753 0.311 . . . . 0.0 110.83 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.9 t -139.98 149.9 43.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.984 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 18.9 t -72.09 133.63 45.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.869 0.366 . . . . 0.0 111.029 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.42 ' HB2' ' HD3' ' A' ' 34' ' ' ARG . 50.8 t80 -139.2 147.77 42.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.566 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.432 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 12.9 m -100.67 135.52 41.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.87 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.3 -10.69 60.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.249 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.5 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.87 -154.83 0.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.918 179.524 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.5 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.98 -67.56 0.28 Allowed 'General case' 0 N--CA 1.445 -0.702 0 CA-C-O 120.901 0.382 . . . . 0.0 110.477 179.559 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -155.4 82.79 1.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.699 179.593 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.65 -75.84 0.14 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.76 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.432 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 1.8 m-85 -84.1 70.03 10.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.147 -179.375 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 28.9 m -97.65 103.52 15.46 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.966 179.749 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 26.7 p90 -136.28 165.75 25.04 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.121 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.5 t -55.0 146.64 17.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.093 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.42 ' HD3' ' HB2' ' A' ' 23' ' ' TYR . 1.4 ptt85 -137.35 129.27 28.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.375 179.469 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.425 ' HD2' HD11 ' A' ' 4' ' ' LEU . 5.0 mtpp -84.37 10.46 10.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.633 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.89 110.26 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 121.235 0.54 . . . . 0.0 111.271 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -86.98 54.7 4.59 Favored Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.506 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -89.42 74.74 7.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.842 0.353 . . . . 0.0 110.782 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.23 -18.33 60.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.367 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.3 tpp -84.96 -40.61 16.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.899 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -149.99 71.84 9.46 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.934 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -82.02 164.62 17.59 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.621 2.214 . . . . 0.0 112.28 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 44.7 m -82.15 -117.74 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.068 0 CA-C-O 121.207 0.527 . . . . 0.0 110.731 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--N 1.316 -0.852 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.06 -179.873 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.406 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.504 0 CA-C-O 120.67 0.272 . . . . 0.0 110.834 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.595 HG23 HG12 ' A' ' 13' ' ' VAL . 5.9 t -94.16 162.69 2.37 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.292 0 CA-C-O 120.877 0.37 . . . . 0.0 111.046 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.475 ' N ' HG12 ' A' ' 2' ' ' VAL . 0.7 OUTLIER -78.04 -163.14 0.39 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.989 -179.388 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.1 tp -66.88 -31.9 72.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.153 -179.423 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -155.23 81.26 1.06 Allowed 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.219 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -139.13 171.55 14.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.505 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 98.4 p -88.63 149.13 23.69 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.909 0.385 . . . . 0.0 111.205 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 9' ' ' LEU . 26.7 p -119.24 -2.84 10.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.293 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.582 ' N ' HD23 ' A' ' 9' ' ' LEU . 0.2 OUTLIER 24.58 97.26 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.486 ' O ' ' CG ' ' A' ' 11' ' ' GLN . . . 111.86 -5.95 27.52 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.973 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.486 ' CG ' ' O ' ' A' ' 10' ' ' GLY . 3.4 pt20 57.51 18.99 4.91 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.312 0.245 . . . . 0.0 111.461 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' ' 10' ' ' GLY . 0.0 OUTLIER -89.74 -24.84 21.43 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 120.943 0.401 . . . . 0.0 110.643 179.526 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.595 HG12 HG23 ' A' ' 2' ' ' VAL . 21.9 t -101.75 92.36 2.84 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.425 -179.629 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -68.8 158.38 58.06 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.343 2.029 . . . . 0.0 112.18 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.5 t -65.19 133.03 50.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.416 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.406 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.92 -3.89 28.66 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.319 179.296 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.488 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.6 OUTLIER -91.08 141.39 26.39 Favored Pre-proline 0 C--O 1.233 0.231 0 CA-C-O 120.913 0.387 . . . . 0.0 111.615 -179.315 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -55.83 134.26 62.99 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.616 2.21 . . . . 0.0 111.826 179.459 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.1 t 63.29 14.49 7.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -107.18 130.12 54.76 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-O 120.789 0.328 . . . . 0.0 110.944 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.8 t -136.3 142.71 43.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.798 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.4 t -74.05 125.27 27.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.071 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.471 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 0.3 OUTLIER -131.11 153.29 49.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.705 179.509 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.479 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 6.4 m -99.1 138.68 35.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.139 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.1 -9.15 58.42 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.361 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.533 ' CD2' ' CZ ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -142.99 -157.43 0.77 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.738 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.533 ' CZ ' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.98 -66.56 0.41 Allowed 'General case' 0 N--CA 1.446 -0.674 0 CA-C-O 120.872 0.368 . . . . 0.0 110.378 179.644 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -156.3 83.15 0.99 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.749 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.01 -80.26 0.11 Allowed 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.494 ' CD1' ' CE2' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -84.12 79.44 9.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.855 0.36 . . . . 0.0 111.232 -179.483 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.479 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 7.7 m -102.59 114.39 28.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.062 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.494 ' CE2' ' CD1' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -138.35 166.21 24.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.258 179.852 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.6 t -56.42 141.49 42.01 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.269 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.471 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -138.09 125.57 21.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.268 179.379 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.69 30.73 0.63 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.683 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 54.78 106.24 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 121.07 0.462 . . . . 0.0 111.546 179.577 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.86 57.37 3.08 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.514 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.1 75.89 7.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.913 0.387 . . . . 0.0 110.64 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.46 -17.13 53.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.483 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 48.6 ttm -84.3 -47.4 10.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.832 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 -150.31 78.26 7.88 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.141 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_endo -78.22 165.6 25.57 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.674 2.249 . . . . 0.0 112.242 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 44.8 m -82.24 -117.98 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.095 0 CA-C-O 121.184 0.516 . . . . 0.0 110.844 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--N 1.316 -0.858 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.076 -179.809 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.412 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.51 0 CA-C-O 120.77 0.319 . . . . 0.0 110.788 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.76 HG21 ' HB3' ' A' ' 8' ' ' CYS . 15.4 t -93.27 161.11 2.6 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.22 0 CA-C-O 120.931 0.396 . . . . 0.0 110.69 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.497 ' N ' HG12 ' A' ' 2' ' ' VAL . 46.6 mtt180 -78.73 -165.16 0.68 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.119 -179.127 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.537 HD12 ' OD2' ' A' ' 17' ' ' ASP . 3.6 tp -68.9 -29.43 67.7 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.241 -179.7 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 26.8 m80 -154.75 72.46 0.85 Allowed 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.17 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -137.88 164.47 28.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.524 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 36.0 t -84.13 142.39 30.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.887 0.375 . . . . 0.0 111.227 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.76 ' HB3' HG21 ' A' ' 2' ' ' VAL . 16.4 p -110.27 -24.54 10.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.188 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.678 HD12 ' O ' ' A' ' 9' ' ' LEU . 0.6 OUTLIER 26.24 94.2 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.189 0.595 . . . . 0.0 112.366 -179.82 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.19 -27.91 0.89 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.464 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 74.81 -11.87 1.0 Allowed 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.797 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -93.47 -15.94 25.03 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.644 0.259 . . . . 0.0 111.077 179.614 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.797 HG23 ' OE1' ' A' ' 12' ' ' GLN . 32.1 t -104.66 85.37 1.15 Allowed Pre-proline 0 C--N 1.332 -0.186 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.411 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.414 ' HD3' ' O ' ' A' ' 12' ' ' GLN . 58.8 Cg_endo -72.18 164.01 36.95 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.482 2.122 . . . . 0.0 112.151 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.9 t -64.28 137.03 57.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.955 0.407 . . . . 0.0 111.106 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.412 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.17 -5.55 36.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.459 179.684 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.537 ' OD2' HD12 ' A' ' 4' ' ' LEU . 87.3 m-20 -87.61 142.12 32.59 Favored Pre-proline 0 C--O 1.233 0.216 0 CA-C-O 120.865 0.364 . . . . 0.0 111.529 -179.448 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -56.23 133.34 57.45 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.465 2.11 . . . . 0.0 111.613 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.5 t 63.02 15.85 8.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -106.75 128.82 54.55 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.871 0.367 . . . . 0.0 111.166 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.6 t -133.57 156.49 47.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.335 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.84 138.72 50.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.968 0.413 . . . . 0.0 111.166 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -138.79 138.41 37.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.325 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 16.0 m -100.16 134.74 42.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.173 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.57 -10.05 59.32 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.266 179.694 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -144.58 -156.18 0.67 Allowed 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.636 179.682 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -67.99 0.24 Allowed 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 120.979 0.418 . . . . 0.0 110.327 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -156.21 81.69 0.99 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.791 179.464 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.63 -72.78 0.14 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.77 0.319 . . . . 0.0 111.773 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -83.88 69.74 10.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.906 0.384 . . . . 0.0 111.064 -179.64 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 19.3 m -99.42 110.46 22.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -135.4 175.16 9.84 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 12.6 t -57.13 139.36 52.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.134 0.492 . . . . 0.0 111.453 -179.65 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.18 112.3 8.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.605 179.265 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.94 30.09 0.53 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -179.11 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 55.97 108.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.316 0.579 . . . . 0.0 111.462 179.616 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.7 47.61 3.83 Favored Glycine 0 N--CA 1.452 -0.25 0 CA-C-N 115.452 -0.795 . . . . 0.0 112.481 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 37.7 p -91.63 77.88 5.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.352 . . . . 0.0 110.537 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.38 -17.59 44.76 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.417 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 13.8 ttm -84.29 -33.87 23.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.813 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -150.02 63.82 6.48 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.849 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -83.55 158.14 14.41 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.788 2.325 . . . . 0.0 112.39 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 48.7 m -82.29 -118.08 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.047 0 CA-C-O 121.269 0.557 . . . . 0.0 110.703 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 p . . . . . 0 C--N 1.317 -0.825 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.105 -179.884 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.405 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.799 0.333 . . . . 0.0 110.791 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.602 HG23 HG12 ' A' ' 13' ' ' VAL . 12.8 t -93.67 162.24 2.44 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.27 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.84 179.785 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.501 ' N ' HG12 ' A' ' 2' ' ' VAL . 44.4 mtt180 -78.42 -168.38 1.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.042 -179.194 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.573 HD21 ' NZ ' ' A' ' 35' ' ' LYS . 2.5 tp -67.83 -26.03 65.86 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.218 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -156.64 74.63 0.82 Allowed 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.017 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -138.29 165.33 26.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.743 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.8 m -80.14 147.96 31.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.059 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.44 ' O ' ' C ' ' A' ' 9' ' ' LEU . 18.9 p -108.92 -11.36 15.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.366 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.462 HD23 ' O ' ' A' ' 9' ' ' LEU . 2.6 tt 24.56 94.59 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.13 0.572 . . . . 0.0 112.447 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.98 -20.79 7.12 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.553 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 68.14 7.23 5.73 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 111.697 0.258 . . . . 0.0 111.697 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.846 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -94.32 -17.56 22.48 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.613 0.244 . . . . 0.0 110.897 179.585 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.846 HG23 ' OE1' ' A' ' 12' ' ' GLN . 24.1 t -101.92 89.22 1.48 Allowed Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.491 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.423 ' HD3' ' O ' ' A' ' 12' ' ' GLN . 42.0 Cg_endo -68.49 159.0 55.32 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.303 2.002 . . . . 0.0 112.227 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.6 t -64.73 134.98 55.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.295 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.405 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.14 -6.33 41.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.24 179.243 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.474 ' OD2' HD12 ' A' ' 4' ' ' LEU . 4.8 m-20 -85.05 143.35 39.68 Favored Pre-proline 0 C--O 1.233 0.237 0 CA-C-O 120.849 0.357 . . . . 0.0 111.391 -179.598 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -55.09 133.05 55.94 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.612 2.208 . . . . 0.0 111.869 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 57.58 17.35 3.91 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.404 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -102.37 132.58 48.27 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.803 0.335 . . . . 0.0 110.95 179.615 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.3 t -136.15 146.84 47.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.788 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 16.2 t -73.82 137.76 44.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.015 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.476 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -140.87 153.79 45.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.686 179.704 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 13.2 m -102.86 137.16 41.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.088 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.49 -11.42 60.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.175 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.493 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.63 -154.73 0.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.762 179.695 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.493 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.82 -67.42 0.29 Allowed 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 120.848 0.356 . . . . 0.0 110.502 179.64 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -155.95 82.95 1.01 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.754 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.78 -74.99 0.14 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.728 0.299 . . . . 0.0 111.705 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.418 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 3.3 m-85 -84.58 70.64 10.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.091 -179.601 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 24.3 m -99.08 104.53 16.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.422 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -137.89 169.07 18.42 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.003 0.43 . . . . 0.0 111.223 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.5 t -52.98 144.1 15.7 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.873 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.476 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 0.4 OUTLIER -137.78 114.39 10.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.831 179.19 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.573 ' NZ ' HD21 ' A' ' 4' ' ' LEU . 7.4 mtpt -83.93 14.31 4.19 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.811 -179.37 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 mp 61.47 111.2 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 121.162 0.506 . . . . 0.0 111.199 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.1 54.49 4.73 Favored Glycine 0 N--CA 1.45 -0.379 0 CA-C-N 115.391 -0.822 . . . . 0.0 112.652 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 35.4 p -89.54 74.93 7.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.862 0.363 . . . . 0.0 110.493 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.64 -18.47 59.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.406 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -84.7 -32.89 23.3 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.672 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -150.81 67.06 7.72 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.015 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.99 167.57 27.01 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.398 2.066 . . . . 0.0 112.097 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 36.2 m -82.87 -120.35 0.02 OUTLIER 'General case' 0 N--CA 1.434 -1.242 0 CA-C-O 121.281 0.562 . . . . 0.0 110.822 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.315 -0.895 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.124 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.424 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.465 0 CA-C-O 120.784 0.326 . . . . 0.0 110.798 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.548 HG21 ' HB3' ' A' ' 8' ' ' CYS . 8.4 t -94.23 161.64 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.753 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.473 ' N ' HG12 ' A' ' 2' ' ' VAL . 9.9 mmt85 -79.26 -167.25 1.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.098 -179.118 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 tp -69.81 -23.14 63.28 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.628 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -156.06 41.31 0.38 Allowed 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 120.886 0.374 . . . . 0.0 111.397 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.417 ' HB3' ' CG1' ' A' ' 2' ' ' VAL . 4.5 tm-20 -105.37 160.82 14.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.517 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.6 m -81.87 149.18 28.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.94 0.4 . . . . 0.0 111.31 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.548 ' HB3' HG21 ' A' ' 2' ' ' VAL . 23.4 p -111.69 -15.2 13.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.244 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.3 OUTLIER 26.36 95.03 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.67 -20.35 4.89 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.603 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 67.4 8.4 6.25 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.598 0.237 . . . . 0.0 111.562 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.577 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -95.61 -22.62 17.48 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.777 0.322 . . . . 0.0 110.749 179.496 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.577 HG23 ' OE1' ' A' ' 12' ' ' GLN . 38.2 t -101.83 94.59 4.57 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.351 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.414 ' HD3' ' O ' ' A' ' 12' ' ' GLN . 61.3 Cg_endo -74.17 162.24 39.12 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.352 2.035 . . . . 0.0 112.234 179.641 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.9 t -65.28 136.57 56.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.134 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.424 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.84 -3.11 23.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.666 179.633 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.462 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -91.74 144.32 29.24 Favored Pre-proline 0 C--O 1.234 0.242 0 CA-C-O 120.932 0.396 . . . . 0.0 111.514 -179.396 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -56.31 132.0 49.21 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.61 2.206 . . . . 0.0 111.883 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.8 t 62.81 15.9 8.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.046 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -104.34 128.08 52.09 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.855 0.36 . . . . 0.0 110.972 179.741 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.5 t -132.35 153.3 50.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.724 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.4 t -71.35 115.95 11.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.939 0.399 . . . . 0.0 111.305 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -108.93 141.11 41.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.484 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 35.4 m -107.34 132.74 52.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.78 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.68 -11.9 60.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.292 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.498 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -146.14 -157.1 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.966 179.637 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.498 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.59 -65.82 0.55 Allowed 'General case' 0 N--CA 1.446 -0.661 0 CA-C-O 120.949 0.404 . . . . 0.0 110.359 179.608 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -155.45 82.12 1.04 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.722 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.75 -75.17 0.14 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.731 0.3 . . . . 0.0 111.614 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -84.24 68.64 10.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.924 0.393 . . . . 0.0 111.107 -179.61 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 59.0 m -99.34 107.52 19.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -135.49 170.46 15.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.04 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.7 t -56.83 139.43 51.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.079 0.466 . . . . 0.0 111.23 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -140.07 116.87 10.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.211 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.6 21.74 1.45 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.877 -179.55 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 59.57 110.14 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 121.199 0.523 . . . . 0.0 111.16 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.91 54.99 3.86 Favored Glycine 0 N--CA 1.452 -0.253 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.663 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.38 75.21 6.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.92 0.391 . . . . 0.0 110.71 179.766 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.06 -17.78 58.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.471 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.9 -41.24 16.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.943 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -149.83 72.96 9.62 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.963 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -78.29 160.47 29.31 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.643 2.228 . . . . 0.0 112.393 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 40.7 m -82.13 -117.48 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.066 0 CA-C-O 121.207 0.527 . . . . 0.0 110.98 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.6 m . . . . . 0 C--N 1.316 -0.849 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.103 -179.84 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.868 0.366 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.878 HG21 ' HB3' ' A' ' 8' ' ' CYS . 17.0 t -96.13 162.22 2.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.294 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.522 ' N ' HG12 ' A' ' 2' ' ' VAL . 4.8 mmt85 -76.34 -165.79 0.54 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.826 -179.391 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.5 tp -66.83 -32.48 73.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.488 -179.303 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -155.29 72.85 0.83 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.105 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.426 ' O ' HG11 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -138.74 161.74 36.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.603 179.881 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 97.2 p -75.42 142.32 43.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.848 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.878 ' HB3' HG21 ' A' ' 2' ' ' VAL . 15.6 p -110.29 -25.81 9.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.211 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.8 OUTLIER 25.13 90.98 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.053 -0.521 . . . . 0.0 112.143 -179.848 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.92 -26.26 0.25 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.548 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.433 ' HG2' ' N ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER 77.12 -37.16 0.26 Allowed 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 111.83 0.308 . . . . 0.0 111.83 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.433 ' N ' ' HG2' ' A' ' 11' ' ' GLN . 0.2 OUTLIER -92.57 36.84 1.0 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.8 0.333 . . . . 0.0 111.25 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.425 HG23 ' OE1' ' A' ' 12' ' ' GLN . 28.7 t -140.93 85.22 12.55 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.013 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -69.59 156.74 62.99 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.492 2.128 . . . . 0.0 112.796 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.407 ' HB3' ' O ' ' A' ' 20' ' ' ALA . 53.4 t -64.26 152.93 39.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.185 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.7 m -73.89 1.88 9.73 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.0 -0.546 . . . . 0.0 112.342 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.54 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.5 OUTLIER -111.44 140.66 23.28 Favored Pre-proline 0 C--O 1.234 0.285 0 CA-C-O 121.145 0.498 . . . . 0.0 111.977 -179.006 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -55.36 137.05 76.31 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.616 2.21 . . . . 0.0 111.541 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.9 t 64.88 11.64 7.13 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 -179.458 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.54 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -103.17 114.94 29.63 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.924 0.392 . . . . 0.0 110.887 179.643 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.3 t -115.8 155.56 27.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.0 t -72.36 100.51 2.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.009 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -86.89 131.98 33.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.805 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 56.2 m -99.81 128.73 45.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.24 -9.88 59.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.343 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.489 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -144.6 -156.56 0.71 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.818 179.737 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.489 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.03 -70.11 0.12 Allowed 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 120.935 0.397 . . . . 0.0 110.4 179.503 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -154.93 76.42 1.0 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.67 179.425 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.46 -66.32 0.16 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.639 -179.654 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -83.82 65.75 8.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.958 0.409 . . . . 0.0 111.122 -179.608 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 27.8 m -101.56 116.75 33.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.076 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -137.04 167.77 20.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.851 179.607 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.5 t -55.71 131.58 46.97 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.924 0.392 . . . . 0.0 110.993 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.56 124.47 17.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.418 179.543 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.47 ' HE3' ' HB2' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -84.88 31.45 0.54 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.719 -179.771 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 57.95 109.24 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 121.162 0.506 . . . . 0.0 111.304 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.11 55.07 2.71 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.552 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.66 77.05 5.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.872 0.367 . . . . 0.0 110.609 179.733 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.21 -16.72 47.94 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.514 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 14.0 ttm -84.25 -45.63 12.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.881 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -150.1 75.37 8.97 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.066 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -80.69 162.4 21.53 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.733 2.289 . . . . 0.0 112.443 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 50.7 m -82.24 -117.84 0.02 OUTLIER 'General case' 0 N--CA 1.436 -1.139 0 CA-C-O 121.228 0.537 . . . . 0.0 110.849 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.7 m . . . . . 0 C--N 1.315 -0.909 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.187 -179.847 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.426 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.485 0 CA-C-O 120.679 0.276 . . . . 0.0 110.824 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.632 HG21 ' HB3' ' A' ' 8' ' ' CYS . 9.4 t -93.49 161.15 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.778 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.48 ' N ' HG12 ' A' ' 2' ' ' VAL . 4.3 mtt180 -79.61 -167.52 1.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.124 -179.325 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.8 tp -69.13 -26.97 65.16 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.142 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -156.1 71.7 0.74 Allowed 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 179.68 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -138.78 162.31 35.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.677 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 62.5 p -78.12 144.77 36.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.895 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.632 ' HB3' HG21 ' A' ' 2' ' ' VAL . 29.3 p -110.64 -20.59 12.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.277 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.449 ' N ' HD23 ' A' ' 9' ' ' LEU . 0.4 OUTLIER 25.26 95.2 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 143.94 -28.26 2.0 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.463 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.13 -7.18 1.56 Allowed 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.897 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -95.22 -12.89 25.51 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-O 120.67 0.272 . . . . 0.0 110.959 179.504 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.897 HG23 ' OE1' ' A' ' 12' ' ' GLN . 23.4 t -103.35 87.16 1.27 Allowed Pre-proline 0 C--O 1.233 0.191 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.373 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.424 ' HD3' ' O ' ' A' ' 12' ' ' GLN . 55.3 Cg_endo -70.29 161.75 44.87 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.446 2.097 . . . . 0.0 112.238 179.781 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.9 t -64.67 135.07 55.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.963 0.411 . . . . 0.0 111.285 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.426 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.85 -4.72 33.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.403 179.393 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.534 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.4 OUTLIER -93.27 138.95 22.89 Favored Pre-proline 0 C--O 1.234 0.252 0 CA-C-O 120.95 0.405 . . . . 0.0 111.69 -179.299 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -55.01 136.26 72.2 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.559 2.173 . . . . 0.0 111.728 179.389 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.5 t 64.19 12.67 7.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 -179.492 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -108.74 132.31 54.09 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-O 120.845 0.355 . . . . 0.0 111.133 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.6 t -138.33 144.13 40.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.445 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.4 t -71.67 147.12 47.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.963 0.411 . . . . 0.0 111.109 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.477 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -156.5 153.76 29.27 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.716 179.717 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 33.5 m -99.55 125.55 45.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.214 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.406 ' HB2' ' HB3' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -73.64 -8.65 56.84 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.495 179.672 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.496 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -144.08 -155.49 0.61 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.926 179.823 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.496 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.59 -71.45 0.09 Allowed 'General case' 0 N--CA 1.445 -0.701 0 CA-C-O 120.955 0.407 . . . . 0.0 110.488 179.639 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.7 p-10 -155.5 74.06 0.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.698 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.99 -58.83 0.14 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.749 0.309 . . . . 0.0 111.696 -179.626 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.43 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 16.4 m-85 -84.52 57.84 4.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.003 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.477 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 25.1 m -96.66 99.38 10.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 16.3 p90 -138.77 175.97 9.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.426 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.3 t -59.88 143.95 50.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.426 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.469 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -138.84 118.97 13.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.973 179.375 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.42 31.85 0.51 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.917 -179.403 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 55.5 107.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.134 0.492 . . . . 0.0 111.465 179.585 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.45 56.76 3.74 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.503 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.52 75.74 6.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.89 0.376 . . . . 0.0 110.636 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.7 -16.99 53.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.443 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 5.9 ttm -84.37 -45.51 12.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.831 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -150.45 76.67 8.32 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.088 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -78.76 165.9 24.13 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.634 2.222 . . . . 0.0 112.391 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 50.3 m -82.19 -117.66 0.02 OUTLIER 'General case' 0 N--CA 1.439 -1.023 0 CA-C-O 121.153 0.501 . . . . 0.0 110.78 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.315 -0.904 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.128 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 2.4 p . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.886 0.374 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.677 HG12 ' HB3' ' A' ' 6' ' ' GLU . 0.9 OUTLIER -100.35 168.53 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.123 -179.91 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.445 ' H ' HG12 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -81.65 -176.88 6.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.494 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.537 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 17.9 tp -72.55 -52.85 13.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.859 0.361 . . . . 0.0 111.134 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -92.99 21.33 5.84 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.247 -0.433 . . . . 0.0 112.039 -179.392 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.677 ' HB3' HG12 ' A' ' 2' ' ' VAL . 21.8 tt0 -108.32 162.87 13.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.175 0.512 . . . . 0.0 111.889 -179.35 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.474 ' O ' HG11 ' A' ' 2' ' ' VAL . 1.6 m -100.71 159.56 15.08 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.632 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.416 ' O ' ' C ' ' A' ' 9' ' ' LEU . 20.5 p -112.16 -23.0 10.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.46 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER 29.44 89.13 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.945 -179.69 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 141.02 -20.71 2.66 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.856 -0.687 . . . . 0.0 112.536 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 70.03 4.52 4.85 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.492 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -98.88 -19.32 17.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.721 0.296 . . . . 0.0 110.952 179.408 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.492 HG23 ' OE1' ' A' ' 12' ' ' GLN . 0.8 OUTLIER -102.92 94.56 5.46 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.299 -179.669 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -73.47 155.47 50.45 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.4 2.067 . . . . 0.0 112.838 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.9 t -66.97 144.55 56.14 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.588 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.8 m -72.88 -10.76 60.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.363 179.459 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.612 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 1.1 m-20 -84.57 134.84 41.6 Favored Pre-proline 0 C--N 1.331 -0.211 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -178.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -56.51 135.24 69.23 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.522 2.148 . . . . 0.0 111.223 179.104 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.576 ' O ' HD12 ' A' ' 36' ' ' LEU . 44.1 t 63.33 15.03 8.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.61 -179.089 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.612 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -104.82 110.22 22.49 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-O 120.867 0.365 . . . . 0.0 110.733 179.724 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 t -112.5 152.31 28.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.61 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.0 t -73.07 121.08 19.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.419 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 10.5 t80 -112.21 139.45 47.74 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.722 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 60.8 m -97.69 118.03 33.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.67 -6.95 49.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.704 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.496 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -143.54 -157.89 0.82 Allowed 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 179.702 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.496 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.2 -70.82 0.1 Allowed 'General case' 0 N--CA 1.445 -0.676 0 CA-C-O 120.958 0.409 . . . . 0.0 110.487 179.683 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -155.39 68.22 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.64 179.544 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -153.27 -50.57 0.1 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.585 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.412 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 7.0 m-85 -85.39 53.7 2.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.821 0.343 . . . . 0.0 111.11 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 29.3 m -97.83 104.73 16.79 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.449 ' HA ' ' HA ' ' A' ' 7' ' ' SER . 4.2 p90 -136.5 174.5 10.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.519 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.537 ' HB3' ' O ' ' A' ' 4' ' ' LEU . 43.2 t -52.61 131.78 34.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.528 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -137.73 137.18 38.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.188 179.028 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -83.6 33.12 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -179.267 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.576 HD12 ' O ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER 51.93 104.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.174 0.511 . . . . 0.0 111.696 179.349 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.63 58.18 2.97 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.447 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -89.31 74.89 7.81 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.896 0.379 . . . . 0.0 110.677 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.71 -17.68 56.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.397 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.4 mmt -84.63 -46.64 11.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.765 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -150.36 78.3 7.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.199 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -78.53 165.47 25.08 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.627 2.218 . . . . 0.0 111.956 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 47.4 m -82.56 -119.46 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.115 0 CA-C-O 121.336 0.589 . . . . 0.0 110.755 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.317 -0.807 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.035 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.417 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.504 0 CA-C-O 120.73 0.3 . . . . 0.0 110.916 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.497 HG21 ' HB3' ' A' ' 8' ' ' CYS . 2.8 t -92.96 165.8 1.86 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.266 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.545 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.464 ' H ' HG12 ' A' ' 2' ' ' VAL . 0.2 OUTLIER -78.08 -171.32 2.28 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.058 -179.217 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 27.3 tp -67.77 -35.46 78.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.843 0.354 . . . . 0.0 111.218 -179.405 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.07 66.74 0.72 Allowed 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.142 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -139.48 160.05 40.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.719 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.0 p -62.31 147.67 47.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.803 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.497 ' HB3' HG21 ' A' ' 2' ' ' VAL . 30.0 p -107.6 -25.73 11.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.212 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.732 HD23 ' O ' ' A' ' 9' ' ' LEU . 8.0 tt 22.59 93.47 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.327 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.05 -24.1 0.28 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.649 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 75.32 -47.92 0.61 Allowed 'General case' 0 N--CA 1.464 0.263 0 O-C-N 122.804 -0.233 . . . . 0.0 111.503 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -90.35 36.83 0.89 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.857 0.361 . . . . 0.0 111.125 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.7 t -137.55 83.47 25.3 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.998 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -72.16 161.14 45.46 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.563 2.175 . . . . 0.0 112.457 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.4 t -64.42 138.25 58.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.304 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.417 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.83 -3.93 28.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.649 179.656 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.576 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.7 OUTLIER -97.14 138.03 21.23 Favored Pre-proline 0 C--O 1.234 0.285 0 CA-C-O 120.917 0.389 . . . . 0.0 111.66 -179.245 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -55.1 136.18 72.03 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.602 2.201 . . . . 0.0 111.683 179.392 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.408 ' O ' HD12 ' A' ' 36' ' ' LEU . 46.5 t 63.86 13.35 7.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.827 -179.381 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.576 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -106.85 132.34 52.92 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-O 120.856 0.36 . . . . 0.0 110.898 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.8 t -138.87 145.83 40.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.9 t -72.38 115.29 11.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.073 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.448 ' CD1' ' HG3' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -112.9 149.28 33.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.583 179.802 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 34.7 m -105.43 132.51 51.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.892 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.79 -11.67 60.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.308 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.52 ' CD2' ' CZ ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -145.14 -158.72 0.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 179.697 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.52 ' CZ ' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.6 -65.46 0.61 Allowed 'General case' 0 N--CA 1.444 -0.762 0 CA-C-O 120.837 0.351 . . . . 0.0 110.429 179.607 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -154.38 81.85 1.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.759 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.56 -74.98 0.13 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.698 0.285 . . . . 0.0 111.684 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -83.71 68.27 9.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.998 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 56.5 m -99.06 105.12 17.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.96 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -137.04 164.43 28.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.021 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.406 ' SG ' ' HB1' ' A' ' 20' ' ' ALA . 3.6 t -57.06 144.03 36.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.195 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.448 ' HG3' ' CD1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -138.77 130.11 27.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.317 179.622 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.81 20.31 1.84 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.826 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.408 HD12 ' O ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER 58.44 109.07 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.109 0.481 . . . . 0.0 111.339 179.882 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -84.83 50.69 4.44 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.601 -0.727 . . . . 0.0 112.585 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 62.1 p -91.31 77.0 5.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 0.0 110.576 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.29 -17.37 53.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.488 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 6.7 mtp -84.34 -34.97 23.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.897 0.38 . . . . 0.0 110.774 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -150.3 65.84 7.47 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.95 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -79.97 157.58 23.86 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.751 2.3 . . . . 0.0 112.38 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 50.7 m -81.98 -117.69 0.02 OUTLIER 'General case' 0 N--CA 1.439 -0.996 0 CA-C-O 121.268 0.556 . . . . 0.0 110.802 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.317 -0.84 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.003 -179.778 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.447 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 120.823 0.344 . . . . 0.0 110.932 . . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.86 HG21 ' HB3' ' A' ' 8' ' ' CYS . 13.6 t -95.56 161.74 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.748 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.498 ' N ' HG12 ' A' ' 2' ' ' VAL . 72.9 mtt180 -79.33 -171.88 2.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.113 -179.317 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 tp -67.92 -28.76 67.76 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.346 -179.532 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -155.31 65.41 0.63 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 121.074 0.464 . . . . 0.0 111.176 179.902 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -140.76 156.66 46.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.677 179.73 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.501 ' OG ' HD23 ' A' ' 9' ' ' LEU . 6.2 t -63.54 148.34 49.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.698 179.834 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.86 ' HB3' HG21 ' A' ' 2' ' ' VAL . 29.9 p -109.48 -24.3 11.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.33 -179.742 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.501 HD23 ' OG ' ' A' ' 7' ' ' SER . 0.4 OUTLIER 22.91 91.42 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 122.757 0.423 . . . . 0.0 112.078 -179.866 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.455 ' O ' ' HB2' ' A' ' 11' ' ' GLN . . . 161.52 -19.92 0.19 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.879 -179.82 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.455 ' HB2' ' O ' ' A' ' 10' ' ' GLY . 9.4 mm-40 70.33 -47.14 0.62 Allowed 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -85.41 5.36 31.3 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 -179.628 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.4 t -106.73 83.54 1.28 Allowed Pre-proline 0 C--N 1.331 -0.203 0 CA-C-O 120.758 0.313 . . . . 0.0 111.205 179.94 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -72.17 163.12 39.7 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.474 2.116 . . . . 0.0 112.124 179.783 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.2 t -63.86 140.67 58.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.044 0.45 . . . . 0.0 111.145 -179.91 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.447 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -71.55 -7.49 48.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.358 179.773 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.473 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -85.43 139.95 36.13 Favored Pre-proline 0 CA--C 1.531 0.212 0 CA-C-O 120.842 0.353 . . . . 0.0 111.311 -179.506 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -55.54 132.05 49.82 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.435 2.09 . . . . 0.0 111.9 179.575 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 34.0 t 62.62 16.87 9.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.18 -179.634 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -104.95 136.86 43.65 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.775 0.322 . . . . 0.0 110.945 179.789 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.0 t -136.95 150.77 48.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.929 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 18.8 t -72.38 121.24 19.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.241 -179.838 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -107.64 138.42 43.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.615 179.615 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.6 m -103.69 132.9 49.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.958 -179.829 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.6 -11.34 60.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.253 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.514 ' CD2' ' CZ ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -144.81 -158.69 0.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 179.681 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.514 ' CZ ' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.57 -65.68 0.57 Allowed 'General case' 0 N--CA 1.446 -0.632 0 CA-C-O 120.859 0.362 . . . . 0.0 110.322 179.511 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -155.44 81.47 1.04 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.657 179.566 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.39 -75.12 0.14 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.739 0.304 . . . . 0.0 111.505 -179.707 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -83.74 71.77 10.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.857 0.36 . . . . 0.0 110.941 -179.599 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 38.3 m -102.24 115.21 30.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.126 -179.858 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -137.27 162.77 32.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.54 179.569 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 9.9 t -52.29 139.87 23.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.926 0.393 . . . . 0.0 111.259 -179.848 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.32 127.52 26.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.38 179.625 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.9 mtmt -84.26 12.32 6.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.801 -179.612 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.87 111.74 0.02 OUTLIER 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 121.218 0.532 . . . . 0.0 111.148 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.82 54.02 3.36 Favored Glycine 0 CA--C 1.518 0.219 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.655 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.9 p -91.07 76.88 6.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.86 0.362 . . . . 0.0 110.56 179.827 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.33 -17.28 53.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.453 -179.741 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -83.92 -36.6 23.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.872 0.368 . . . . 0.0 110.866 179.898 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -150.36 67.72 8.3 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -77.77 140.93 18.93 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.611 2.207 . . . . 0.0 112.582 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 37.6 m -82.29 -118.18 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.071 0 CA-C-O 121.179 0.514 . . . . 0.0 110.856 179.909 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.315 -0.899 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.004 -179.85 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.423 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.698 0.285 . . . . 0.0 110.806 . . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.568 HG21 ' HB3' ' A' ' 8' ' ' CYS . 9.0 t -92.97 161.89 2.48 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.273 0 CA-C-O 120.85 0.357 . . . . 0.0 110.782 179.84 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.483 ' N ' HG12 ' A' ' 2' ' ' VAL . 57.4 mtt180 -78.82 -167.18 1.04 Allowed 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.102 -179.261 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.678 HD11 ' CE ' ' A' ' 35' ' ' LYS . 8.9 tp -69.58 -27.4 65.08 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.192 -179.803 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -155.5 69.59 0.7 Allowed 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.907 179.821 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -138.47 162.18 35.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.695 179.874 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.0 p -78.85 154.4 29.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 -179.893 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.568 ' HB3' HG21 ' A' ' 2' ' ' VAL . 2.6 p -112.32 -7.81 13.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.343 179.745 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.527 ' N ' HD23 ' A' ' 9' ' ' LEU . 0.3 OUTLIER 24.48 95.21 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -179.994 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 127.67 -24.23 5.23 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.577 179.842 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.55 -5.48 1.98 Allowed 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -179.932 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -94.5 25.47 3.92 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.78 0.324 . . . . 0.0 111.017 179.596 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.474 HG12 HG23 ' A' ' 2' ' ' VAL . 24.5 t -141.31 88.27 10.09 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.25 -179.747 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -68.23 159.82 51.56 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.454 2.103 . . . . 0.0 112.12 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.8 t -63.96 133.67 53.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.268 -179.825 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.423 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.15 -5.69 37.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.215 179.125 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.657 ' OD2' HD12 ' A' ' 4' ' ' LEU . 28.0 m-20 -91.62 136.69 26.3 Favored Pre-proline 0 C--O 1.234 0.282 0 CA-C-O 120.873 0.368 . . . . 0.0 111.502 -179.422 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -54.58 136.13 69.21 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.57 2.18 . . . . 0.0 111.804 179.458 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.5 t 64.71 12.26 7.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.096 -179.438 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -108.96 134.74 51.21 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 120.75 0.309 . . . . 0.0 110.918 179.817 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.6 t -139.71 145.39 38.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.871 0.367 . . . . 0.0 111.078 -179.933 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.1 t -73.8 130.49 40.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.962 179.829 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.463 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 0.5 OUTLIER -132.35 148.79 52.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.78 179.659 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 21.5 m -103.79 132.47 50.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.959 -179.913 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -73.27 -10.44 59.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.346 179.836 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.499 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.6 -155.75 0.64 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.8 179.645 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.499 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.98 -68.44 0.2 Allowed 'General case' 0 N--CA 1.446 -0.659 0 CA-C-O 120.914 0.388 . . . . 0.0 110.308 179.533 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -154.87 81.53 1.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.728 179.584 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.76 -72.68 0.15 Allowed 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 121.0 -0.28 . . . . 0.0 111.71 -179.66 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.411 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -83.95 66.0 8.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.932 0.396 . . . . 0.0 111.049 -179.61 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 39.9 m -97.47 103.94 15.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.684 179.806 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.453 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 1.3 p90 -137.71 163.94 30.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.936 0.398 . . . . 0.0 111.465 -179.717 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.8 t -56.44 145.28 28.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.285 -179.729 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.463 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 2.1 ttt180 -137.4 128.3 27.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.542 179.553 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.678 ' CE ' HD11 ' A' ' 4' ' ' LEU . 2.2 mtpm? -84.43 14.75 4.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.778 -179.729 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.82 110.94 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 121.167 0.508 . . . . 0.0 111.056 179.833 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.87 54.42 3.79 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.712 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 39.5 p -91.38 76.39 5.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.929 0.395 . . . . 0.0 110.621 179.73 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.47 -17.68 55.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.544 -179.793 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.9 mtp -84.34 -35.19 23.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.745 179.956 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 16.8 m-20 -150.04 66.9 8.2 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.86 147.36 30.74 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.56 2.173 . . . . 0.0 112.443 -179.936 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 39.4 m -82.01 -117.41 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.092 0 CA-C-O 121.236 0.541 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.316 -0.868 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.042 -179.791 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.9 p . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.702 0.286 . . . . 0.0 111.321 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.567 HG23 HG12 ' A' ' 13' ' ' VAL . 5.6 t -95.54 162.69 2.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 -179.779 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.484 ' N ' HG12 ' A' ' 2' ' ' VAL . 83.3 mtt180 -78.64 -166.42 0.87 Allowed 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.069 -179.588 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.3 tp -69.51 -25.64 64.14 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.615 -179.55 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -155.13 70.42 0.75 Allowed 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 120.892 0.377 . . . . 0.0 111.319 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.458 ' O ' HG11 ' A' ' 2' ' ' VAL . 8.8 tp10 -140.08 158.96 43.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.564 179.576 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.6 152.38 31.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.258 -179.623 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.51 ' HB3' HG21 ' A' ' 2' ' ' VAL . 31.2 p -112.95 -11.62 13.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.366 179.863 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.48 ' N ' HD23 ' A' ' 9' ' ' LEU . 0.2 OUTLIER 27.07 95.73 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.083 0.553 . . . . 0.0 112.384 -179.924 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.461 ' O ' ' CG ' ' A' ' 11' ' ' GLN . . . 120.61 -5.35 11.73 Favored Glycine 0 C--N 1.33 0.22 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.62 -179.931 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.461 ' CG ' ' O ' ' A' ' 10' ' ' GLY . 7.8 pt20 51.7 20.65 1.16 Allowed 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.576 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -100.51 -23.75 14.63 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.859 0.361 . . . . 0.0 110.754 179.304 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.576 HG23 ' OE1' ' A' ' 12' ' ' GLN . 34.8 t -99.77 100.89 12.06 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.553 -179.79 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -75.72 160.81 37.42 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.266 1.977 . . . . 0.0 112.14 179.592 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.3 t -65.29 144.96 56.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.299 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 66.2 m -72.52 -5.18 35.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.854 -179.933 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.54 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.9 OUTLIER -99.13 139.68 21.16 Favored Pre-proline 0 C--O 1.233 0.229 0 CA-C-O 121.105 0.479 . . . . 0.0 111.995 -178.881 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -55.65 137.76 79.06 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.476 2.117 . . . . 0.0 111.515 179.204 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.8 t 65.17 10.26 6.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.052 -179.201 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.54 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -105.48 122.33 45.77 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 120.991 0.424 . . . . 0.0 110.818 179.743 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 t -126.64 161.0 29.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.678 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.3 t -71.81 107.36 4.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.239 -179.614 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -95.42 136.42 35.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.586 179.615 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.8 m -109.97 134.72 51.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.953 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.59 -13.69 61.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.31 179.932 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.5 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -146.68 -156.03 0.68 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.973 179.663 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.5 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.57 -64.93 0.71 Allowed 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 120.929 0.395 . . . . 0.0 110.568 179.652 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -155.68 83.86 1.03 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.644 179.656 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -149.95 -78.0 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.498 -179.765 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -84.73 69.18 10.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.942 0.401 . . . . 0.0 110.926 -179.806 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 66.9 m -98.79 107.39 19.82 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.985 -179.869 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.442 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 1.2 p90 -135.7 166.41 23.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 179.834 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.9 t -53.55 137.69 35.91 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.005 0.431 . . . . 0.0 111.23 -179.695 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -141.32 122.84 15.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.326 179.44 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.99 22.67 1.13 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.791 -179.655 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 58.71 109.26 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.325 0 CA-C-O 121.213 0.53 . . . . 0.0 111.258 179.755 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.48 55.92 4.42 Favored Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 115.527 -0.761 . . . . 0.0 112.633 179.898 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.02 75.86 7.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.881 0.372 . . . . 0.0 110.558 179.885 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.59 -17.52 55.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.332 -179.8 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 32.5 tpp -84.2 -44.75 13.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.825 179.894 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -150.03 75.2 9.07 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.986 -179.939 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -80.53 164.05 21.33 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.654 2.236 . . . . 0.0 112.315 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 48.5 m -82.16 -117.42 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.056 0 CA-C-O 121.218 0.532 . . . . 0.0 110.695 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.6 p . . . . . 0 C--N 1.316 -0.864 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.993 -179.77 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.415 ' HB3' ' O ' ' A' ' 14' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.474 0 CA-C-O 120.791 0.329 . . . . 0.0 110.841 . . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.903 HG21 ' HB3' ' A' ' 8' ' ' CYS . 13.6 t -94.6 161.75 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.0 179.779 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.5 ' N ' HG12 ' A' ' 2' ' ' VAL . 84.2 mtt180 -78.98 -169.23 1.72 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.124 -179.182 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 tp -69.04 -23.24 64.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.547 -179.587 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -156.07 67.94 0.61 Allowed 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 120.972 0.415 . . . . 0.0 111.07 179.846 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.474 ' O ' HG11 ' A' ' 2' ' ' VAL . 0.6 OUTLIER -139.62 159.6 41.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.752 179.863 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 79.5 p -75.83 144.22 41.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.774 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.903 ' HB3' HG21 ' A' ' 2' ' ' VAL . 27.8 p -108.99 -24.31 11.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.225 -179.912 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.503 HD12 ' O ' ' A' ' 9' ' ' LEU . 1.1 pp 23.59 87.09 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.166 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 165.59 -29.12 0.2 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.429 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 78.19 -30.5 0.16 Allowed 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.411 ' O ' ' HD3' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -90.58 -5.56 55.77 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.535 0.207 . . . . 0.0 111.317 179.818 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.6 t -105.82 83.32 1.01 Allowed Pre-proline 0 C--N 1.332 -0.195 0 CA-C-O 120.677 0.275 . . . . 0.0 111.233 -179.926 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.415 ' O ' ' HB3' ' A' ' 1' ' ' CYS . 59.2 Cg_endo -72.66 164.91 34.24 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.455 2.103 . . . . 0.0 112.039 179.866 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.0 t -63.22 137.25 58.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.947 0.404 . . . . 0.0 111.121 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.411 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -71.37 -6.43 40.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.393 179.624 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.447 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.4 OUTLIER -85.09 140.32 36.95 Favored Pre-proline 0 CA--C 1.531 0.249 0 CA-C-O 120.849 0.356 . . . . 0.0 111.234 -179.451 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -54.65 131.96 48.77 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.579 2.186 . . . . 0.0 112.072 179.65 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 23.4 t 63.03 16.35 9.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.351 179.934 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -104.51 136.53 43.89 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.838 0.351 . . . . 0.0 111.016 179.887 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.3 t -135.12 151.12 50.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.84 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.8 t -72.83 119.25 16.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.146 -179.861 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -108.51 137.66 46.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.585 179.588 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 57.8 m -100.11 127.03 46.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.03 -179.825 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.96 -9.62 58.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.507 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.524 ' CD2' ' CZ ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -143.92 -158.45 0.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 179.651 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.524 ' CZ ' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.42 -68.6 0.2 Allowed 'General case' 0 N--CA 1.445 -0.695 0 CA-C-O 120.86 0.362 . . . . 0.0 110.41 179.592 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -155.16 75.48 0.95 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.681 179.57 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -153.09 -63.98 0.15 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.668 -179.799 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -84.3 64.31 8.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.08 -179.73 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 31.9 m -100.66 112.1 24.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 179.907 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -136.07 169.36 17.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.706 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 13.3 t -55.37 138.25 46.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.065 0.459 . . . . 0.0 111.143 -179.83 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -137.0 111.91 8.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.297 179.517 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.46 19.66 1.88 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.874 -179.49 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 60.8 111.53 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 121.212 0.529 . . . . 0.0 111.038 179.879 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.27 53.45 3.1 Favored Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 115.441 -0.8 . . . . 0.0 112.782 -179.942 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.5 p -90.87 76.08 6.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.863 0.364 . . . . 0.0 110.681 179.675 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.28 -18.0 56.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.476 -179.794 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.6 mpp? -84.8 -38.26 19.79 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.801 179.888 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -150.11 78.02 8.13 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.992 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.27 165.04 33.8 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.444 2.096 . . . . 0.0 112.31 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 34.4 m -82.5 -118.89 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.117 0 CA-C-O 121.259 0.552 . . . . 0.0 110.806 -179.939 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.316 -0.878 0 CA-C-N 115.349 -0.842 . . . . 0.0 111.005 -179.789 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.445 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 120.832 0.348 . . . . 0.0 110.834 . . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.527 HG21 ' HB3' ' A' ' 8' ' ' CYS . 3.1 t -93.96 164.59 2.06 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.645 179.659 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.447 ' N ' HG12 ' A' ' 2' ' ' VAL . 24.4 mtt180 -78.08 -164.37 0.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.076 -179.226 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.7 tp -68.38 -35.71 78.1 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.333 -179.479 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.84 39.42 0.43 Allowed 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.196 179.825 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -104.77 167.58 9.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.658 179.637 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 28.0 m -68.06 150.04 48.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.782 179.96 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.823 ' C ' HD23 ' A' ' 9' ' ' LEU . 16.8 p -109.13 -23.22 11.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.219 -179.851 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.823 HD23 ' C ' ' A' ' 8' ' ' CYS . 1.6 pt? 17.15 99.13 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.284 0.634 . . . . 0.0 112.569 -179.832 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 154.31 -22.84 0.66 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.631 -179.873 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 74.43 -48.3 0.65 Allowed 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -180.0 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -90.47 36.8 0.89 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.845 0.355 . . . . 0.0 111.16 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.6 t -137.03 84.54 24.82 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.0 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -71.24 162.17 43.36 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.562 2.175 . . . . 0.0 112.397 179.947 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.1 t -63.85 140.28 58.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.402 -179.821 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.445 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.52 -5.77 39.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.523 179.511 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.493 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.8 OUTLIER -95.02 140.37 22.42 Favored Pre-proline 0 C--O 1.234 0.237 0 CA-C-O 120.93 0.395 . . . . 0.0 111.681 -179.27 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -55.62 134.55 64.61 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.614 2.209 . . . . 0.0 111.887 179.505 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.9 t 64.08 13.09 7.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.023 -179.536 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -106.49 134.04 50.25 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.745 0.307 . . . . 0.0 110.889 179.711 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.4 t -140.07 156.02 46.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.6 t -71.77 145.54 48.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.879 0.371 . . . . 0.0 111.006 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.404 ' HB2' ' CD ' ' A' ' 34' ' ' ARG . 57.0 t80 -145.02 134.69 23.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.552 179.933 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 12.6 m -98.83 136.87 38.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.959 -179.865 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.54 -10.73 60.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.208 179.704 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.491 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.4 -154.25 0.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.844 179.591 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.491 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.89 -67.56 0.28 Allowed 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 120.851 0.358 . . . . 0.0 110.42 179.573 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 -156.13 83.5 1.0 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.802 179.63 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.11 -77.55 0.13 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.779 0.289 . . . . 0.0 111.779 -179.745 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.418 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . 14.3 m-85 -83.9 73.06 10.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.805 0.336 . . . . 0.0 111.171 -179.488 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.1 m -100.58 113.94 27.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.36 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.418 ' CE2' ' HB3' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -136.41 166.35 23.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.694 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.3 t -61.28 147.54 44.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.354 -179.794 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.404 ' CD ' ' HB2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -140.55 126.92 19.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.226 179.213 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.87 15.03 4.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.804 -179.499 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.06 110.89 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.325 0 CA-C-O 121.164 0.507 . . . . 0.0 111.022 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -84.42 51.6 4.58 Favored Glycine 0 N--CA 1.451 -0.358 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.684 -179.79 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 29.6 p -91.47 75.92 5.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.816 0.341 . . . . 0.0 110.594 179.771 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.56 -18.76 60.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.415 -179.874 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 10.5 tpp -84.8 -33.22 23.0 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.803 179.927 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -150.11 65.22 7.27 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.927 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -79.02 154.58 25.74 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.651 2.234 . . . . 0.0 112.366 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 41.5 m -81.8 -117.38 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.057 0 CA-C-O 121.282 0.563 . . . . 0.0 110.825 179.937 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 53.1 p . . . . . 0 C--N 1.317 -0.832 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.129 -179.845 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.446 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.467 0 CA-C-O 120.831 0.348 . . . . 0.0 110.88 . . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.499 HG21 ' HB3' ' A' ' 8' ' ' CYS . 2.6 t -94.09 166.61 1.76 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.629 179.699 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.498 ' H ' HG12 ' A' ' 2' ' ' VAL . 54.9 mtt180 -77.71 -162.4 0.31 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.971 -179.326 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.693 HD11 ' HD3' ' A' ' 35' ' ' LYS . 35.4 tp -66.99 -44.15 81.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.67 -179.045 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -156.54 75.54 0.86 Allowed 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 120.777 0.322 . . . . 0.0 111.655 -179.826 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.49 ' HG3' HG12 ' A' ' 2' ' ' VAL . 0.3 OUTLIER -141.69 176.0 9.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.662 179.452 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 25.5 p -70.75 138.33 50.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.66 179.76 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.499 ' HB3' HG21 ' A' ' 2' ' ' VAL . 28.5 p -109.01 -26.67 10.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.36 -179.797 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.463 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.3 OUTLIER 23.83 91.68 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.085 -179.958 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 170.65 -25.25 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.855 -179.836 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 75.42 -50.7 0.64 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.645 0.223 . . . . 0.0 111.542 -179.948 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.37 9.32 20.97 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.592 0.219 . . . . 0.0 111.592 -179.752 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.3 t -106.27 83.72 1.21 Allowed Pre-proline 0 C--N 1.332 -0.186 0 CA-C-O 120.631 0.253 . . . . 0.0 111.09 179.776 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.433 ' O ' ' HB3' ' A' ' 1' ' ' CYS . 46.8 Cg_endo -70.57 158.87 54.63 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.458 2.105 . . . . 0.0 112.295 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.3 t -65.75 138.72 58.13 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.455 -179.927 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.446 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -73.11 -4.68 34.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.497 179.581 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.585 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 9.2 t70 -99.3 133.86 21.7 Favored Pre-proline 0 C--O 1.235 0.321 0 CA-C-O 120.938 0.399 . . . . 0.0 111.869 -178.918 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -54.5 139.16 75.22 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.573 2.182 . . . . 0.0 111.678 179.26 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.441 ' O ' HD12 ' A' ' 36' ' ' LEU . 45.6 t 64.72 9.61 5.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.013 -179.257 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.585 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -107.31 132.01 53.59 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-O 120.834 0.35 . . . . 0.0 110.94 179.721 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 t -138.42 146.61 42.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.987 -179.807 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.6 t -74.45 120.51 20.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.906 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.466 ' CD1' ' HB3' ' A' ' 34' ' ' ARG . 3.5 p90 -116.92 141.56 48.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.546 179.615 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 29.7 m -99.02 130.94 45.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.167 -179.791 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.06 -9.81 59.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.361 179.796 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.506 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -144.32 -154.89 0.56 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.879 179.753 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.506 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.77 -70.37 0.11 Allowed 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 120.928 0.394 . . . . 0.0 110.434 179.497 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -155.97 78.11 0.97 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.631 179.468 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.5 -66.76 0.16 Allowed 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 -179.722 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -84.15 65.65 8.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.944 0.402 . . . . 0.0 111.077 -179.489 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 17.4 m -99.84 114.03 26.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.046 179.924 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.438 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -137.29 159.72 41.1 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.813 179.704 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.533 ' SG ' ' HB1' ' A' ' 20' ' ' ALA . 7.8 t -63.6 142.14 58.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.018 0.437 . . . . 0.0 111.433 -179.713 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.466 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -140.18 134.37 31.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.229 178.972 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.693 ' HD3' HD11 ' A' ' 4' ' ' LEU . 0.6 OUTLIER -85.36 28.02 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.73 -179.566 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.441 HD12 ' O ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER 57.24 108.31 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.17 0.509 . . . . 0.0 111.3 179.973 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.49 55.78 4.42 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.716 -179.85 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 63.2 p -92.04 77.78 5.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.866 0.365 . . . . 0.0 110.404 179.653 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.61 -15.51 28.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.62 -179.763 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 11.7 mtm -83.82 -40.14 19.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.678 179.911 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -150.86 74.39 8.55 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.173 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -74.71 158.58 43.18 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.546 2.164 . . . . 0.0 112.262 179.742 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 55.5 m -81.87 -117.5 0.02 OUTLIER 'General case' 0 N--CA 1.439 -0.994 0 CA-C-O 121.245 0.545 . . . . 0.0 110.808 179.937 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.4 m . . . . . 0 C--N 1.316 -0.879 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.045 -179.785 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.892 0.377 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.661 HG23 HG12 ' A' ' 13' ' ' VAL . 11.4 t -96.54 162.11 2.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.294 -179.888 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.501 ' N ' HG12 ' A' ' 2' ' ' VAL . 8.3 mtt85 -78.25 -164.51 0.55 Allowed 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 -179.528 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.666 HD12 ' OD2' ' A' ' 17' ' ' ASP . 3.1 tp -67.16 -26.83 66.85 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.293 -179.619 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -156.36 75.23 0.86 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.976 179.814 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.434 ' O ' HG11 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -137.58 161.57 36.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.689 179.765 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.3 p -81.68 148.16 29.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.079 -179.867 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.441 ' HB3' HG21 ' A' ' 2' ' ' VAL . 26.5 p -111.91 -13.23 13.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.337 179.914 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER 25.79 94.01 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.074 0.549 . . . . 0.0 112.296 -179.925 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.45 -17.92 7.81 Favored Glycine 0 CA--C 1.518 0.28 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.554 179.938 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 68.6 5.93 5.15 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 -179.806 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.405 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -95.75 20.13 10.27 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.675 0.274 . . . . 0.0 110.952 179.515 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.661 HG12 HG23 ' A' ' 2' ' ' VAL . 24.0 t -142.03 89.64 8.72 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.33 -179.763 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -69.36 159.5 53.48 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.503 2.135 . . . . 0.0 112.284 179.849 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.9 t -64.3 145.31 56.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.105 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.7 m -71.46 -8.4 53.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.554 179.856 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.666 ' OD2' HD12 ' A' ' 4' ' ' LEU . 63.1 m-20 -88.88 141.43 29.72 Favored Pre-proline 0 C--O 1.234 0.285 0 CA-C-O 121.061 0.458 . . . . 0.0 111.636 -179.194 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -55.39 136.71 74.92 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.583 2.189 . . . . 0.0 111.694 179.519 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER 61.05 12.57 4.06 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.609 -179.775 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -103.92 133.04 49.56 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-O 120.875 0.369 . . . . 0.0 110.895 179.622 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.1 t -134.13 156.14 48.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.811 -179.875 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 10.6 t -72.23 123.12 22.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 179.961 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -119.33 149.07 42.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.615 179.816 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.0 m -107.63 132.88 52.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.981 -179.834 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.46 -9.9 59.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.337 179.714 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -143.85 -158.11 0.85 Allowed 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.738 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -55.89 -67.67 0.27 Allowed 'General case' 0 N--CA 1.446 -0.669 0 CA-C-O 120.905 0.383 . . . . 0.0 110.422 179.527 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.1 p-10 -155.76 80.18 1.01 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.694 179.427 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.01 -71.38 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.974 -0.291 . . . . 0.0 111.644 -179.731 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.19 66.73 9.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.893 -179.718 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 47.4 m -98.3 107.1 19.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -137.0 173.82 11.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.154 179.828 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -54.78 136.58 46.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.259 -179.839 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.32 116.55 11.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.37 179.32 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.425 ' HG2' ' HB2' ' A' ' 20' ' ' ALA . 19.3 mtpt -84.64 23.84 1.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.731 -179.521 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 59.57 110.49 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 121.27 0.557 . . . . 0.0 111.251 179.817 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -78.74 54.65 4.14 Favored Glycine 0 N--CA 1.451 -0.301 0 CA-C-N 115.399 -0.819 . . . . 0.0 112.602 -179.87 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 62.3 p -91.18 76.99 6.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 110.452 179.85 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.15 -17.02 50.72 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.534 -179.815 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 15.2 ttm -84.28 -35.55 23.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.778 179.845 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -150.38 66.97 7.99 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -77.68 162.81 29.76 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.521 2.147 . . . . 0.0 112.335 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 38.0 m -82.3 -118.48 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.103 0 CA-C-O 121.216 0.531 . . . . 0.0 110.718 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.316 -0.855 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.079 -179.895 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.421 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.445 0 CA-C-O 120.88 0.371 . . . . 0.0 110.917 . . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.501 HG12 ' H ' ' A' ' 3' ' ' ARG . 2.1 t -96.5 166.29 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.856 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.501 ' H ' HG12 ' A' ' 2' ' ' VAL . 3.1 mtt85 -79.42 -164.59 0.65 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.866 -179.708 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 tp -68.89 -31.52 70.51 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.148 -179.686 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 26.5 m80 -155.46 71.42 0.77 Allowed 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.215 179.882 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.473 ' O ' HG11 ' A' ' 2' ' ' VAL . 32.8 tp10 -140.22 160.19 40.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.924 179.906 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.2 t -77.14 151.62 35.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.744 179.749 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.515 ' O ' ' CB ' ' A' ' 9' ' ' LEU . 2.7 p -110.36 -42.87 4.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.009 -179.957 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.515 ' CB ' ' O ' ' A' ' 8' ' ' CYS . 12.0 tp 92.67 116.94 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.762 179.873 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 61.55 17.47 53.66 Favored Glycine 0 CA--C 1.517 0.171 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.897 179.892 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 47.01 28.01 0.82 Allowed 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 179.885 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -90.62 7.8 37.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.314 179.79 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.6 t -142.97 99.55 5.51 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.166 -179.963 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.407 ' O ' ' HB3' ' A' ' 1' ' ' CYS . 40.1 Cg_endo -67.78 160.49 48.07 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.246 1.964 . . . . 0.0 112.033 179.813 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.4 t -63.88 137.73 58.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.3 -179.82 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.421 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.03 -6.71 44.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.378 179.417 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.477 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.9 OUTLIER -87.92 142.75 32.48 Favored Pre-proline 0 C--O 1.233 0.234 0 CA-C-O 120.899 0.38 . . . . 0.0 111.619 -179.321 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -55.68 133.66 59.4 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.605 2.203 . . . . 0.0 111.926 179.525 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.2 t 63.1 14.57 7.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.182 -179.434 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -108.26 133.64 52.21 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.865 0.364 . . . . 0.0 110.975 179.773 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.1 t -136.98 148.17 46.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.755 -179.941 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -73.06 113.59 10.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.924 179.948 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.49 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -113.52 152.47 30.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.848 179.791 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 18.2 m -105.82 137.58 43.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.124 -179.873 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.89 -11.35 60.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.358 179.78 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.496 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.81 -155.78 0.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.823 179.654 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.496 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.42 -66.08 0.5 Allowed 'General case' 0 N--CA 1.445 -0.715 0 CA-C-O 121.008 0.432 . . . . 0.0 110.395 179.535 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -156.18 83.02 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.704 179.691 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.66 -77.26 0.13 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.698 0.285 . . . . 0.0 111.671 -179.744 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -84.05 72.07 10.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.066 -179.596 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 35.1 m -99.34 107.4 19.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.057 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.475 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.9 OUTLIER -136.72 171.85 13.88 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.21 179.885 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.2 t -55.54 139.33 44.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.653 -179.562 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.49 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -137.42 112.82 9.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.128 179.322 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.69 19.36 1.67 Allowed 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -179.339 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 59.91 110.89 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 121.234 0.54 . . . . 0.0 111.281 179.699 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -84.67 51.36 4.55 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.433 -0.803 . . . . 0.0 112.607 -179.935 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.4 p -91.21 76.43 6.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.855 0.36 . . . . 0.0 110.651 179.828 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.63 -17.52 55.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.552 -179.757 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.4 ttm -84.59 -35.91 22.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.73 179.85 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -150.16 66.31 7.81 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 179.924 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -81.41 157.24 19.42 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.728 2.285 . . . . 0.0 112.506 -179.926 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 45.6 m -81.76 -116.77 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.062 0 CA-C-O 121.213 0.53 . . . . 0.0 110.799 179.903 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.1 p . . . . . 0 C--N 1.316 -0.868 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.005 -179.948 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 14' ' ' PRO . 1.9 p . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.74 0.305 . . . . 0.0 111.245 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.484 HG12 ' H ' ' A' ' 3' ' ' ARG . 2.1 t -96.13 165.85 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.056 0.455 . . . . 0.0 111.416 -179.624 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.484 ' H ' HG12 ' A' ' 2' ' ' VAL . 13.5 mtt180 -78.14 -168.12 1.21 Allowed 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.855 -179.619 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.6 tp -68.74 -34.58 75.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.768 0.318 . . . . 0.0 111.347 -179.497 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.92 71.63 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.164 179.937 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -140.37 164.66 29.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.766 179.793 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.6 t -82.5 143.29 31.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.702 179.846 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.417 ' HB3' ' CG2' ' A' ' 2' ' ' VAL . 20.9 p -117.48 -30.15 5.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.496 -179.653 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.613 HD12 ' O ' ' A' ' 9' ' ' LEU . 1.2 pp 29.33 41.29 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.99 -179.464 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 8' ' ' CYS . . . -126.41 -11.88 3.61 Favored Glycine 0 CA--C 1.52 0.367 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.925 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 71.41 -58.08 0.59 Allowed 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 179.735 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.727 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -88.34 14.12 10.23 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -179.27 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.727 HG23 ' OE1' ' A' ' 12' ' ' GLN . 38.5 t -105.49 86.46 1.75 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 120.614 0.245 . . . . 0.0 111.189 179.604 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.401 ' O ' ' HB2' ' A' ' 1' ' ' CYS . 43.2 Cg_endo -69.65 157.51 60.35 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.379 2.053 . . . . 0.0 112.521 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.7 t -65.51 145.44 56.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.358 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.2 m -72.32 -6.33 42.46 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.777 179.838 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.501 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -98.95 142.18 24.16 Favored Pre-proline 0 C--O 1.233 0.232 0 CA-C-O 121.087 0.47 . . . . 0.0 112.003 -178.916 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_endo -56.81 135.93 73.49 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.53 2.153 . . . . 0.0 111.579 179.388 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.4 t 64.55 10.93 6.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 -179.339 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -104.16 131.0 51.9 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 120.781 0.324 . . . . 0.0 110.656 179.485 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.9 t -135.25 148.89 49.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.766 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.14 120.11 17.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.968 179.943 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -122.22 152.7 39.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.882 179.868 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 39.2 m -110.26 131.01 55.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.217 -179.734 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.5 ttp180 -73.96 -12.14 60.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.33 179.622 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.511 ' CD2' ' CZ ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -144.82 -158.73 0.92 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.754 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.511 ' CZ ' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.82 -66.44 0.45 Allowed 'General case' 0 N--CA 1.445 -0.708 0 CA-C-O 121.054 0.454 . . . . 0.0 110.489 179.675 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -154.68 78.91 1.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.734 179.693 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.61 -66.68 0.16 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.811 0.339 . . . . 0.0 111.302 -179.916 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.425 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 7.0 m-85 -84.65 59.13 5.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.741 -179.915 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 65.0 m -96.82 101.28 12.85 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.246 -179.62 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -139.77 171.71 13.83 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.925 179.474 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.1 t -57.33 145.09 33.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.119 0.485 . . . . 0.0 111.521 -179.574 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.414 ' HD3' ' HA ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -136.43 113.59 10.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.178 179.509 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.92 6.63 15.25 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -179.039 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.414 ' HA ' ' HD3' ' A' ' 34' ' ' ARG . 0.4 OUTLIER 61.21 111.1 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.295 0.569 . . . . 0.0 111.226 179.775 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -92.67 51.52 2.64 Favored Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 115.285 -0.871 . . . . 0.0 112.535 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.9 p -91.66 77.75 5.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.857 0.36 . . . . 0.0 110.512 179.729 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.41 -17.47 44.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.574 -179.725 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.5 ttm -84.04 -30.76 25.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.885 0.374 . . . . 0.0 110.639 179.785 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -150.31 61.39 4.8 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.831 179.919 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_endo -78.52 154.49 27.56 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.645 2.23 . . . . 0.0 112.325 -179.954 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 44.0 m -81.56 -116.35 0.02 OUTLIER 'General case' 0 N--CA 1.439 -1.013 0 CA-C-O 121.129 0.49 . . . . 0.0 110.96 179.929 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--N 1.316 -0.862 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.987 -179.757 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.4 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 120.836 0.351 . . . . 0.0 111.053 . . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.723 HG22 ' HB3' ' A' ' 6' ' ' GLU . 0.3 OUTLIER -95.27 -175.31 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.587 179.661 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.564 ' N ' HG13 ' A' ' 2' ' ' VAL . 29.2 mtt180 -81.08 -165.43 0.92 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.911 0.386 . . . . 0.0 111.439 -179.07 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.8 tp -70.1 -28.84 65.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.279 -179.572 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -154.74 44.83 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.219 -179.931 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.723 ' HB3' HG22 ' A' ' 2' ' ' VAL . 5.9 tt0 -104.98 162.61 13.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.637 179.546 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.3 m -82.72 149.63 27.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.087 -179.797 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 9' ' ' LEU . 6.8 p -112.0 -12.46 13.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.341 179.911 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.487 ' N ' HD23 ' A' ' 9' ' ' LEU . 0.3 OUTLIER 26.45 93.91 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 179.998 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 125.02 -17.23 7.16 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.458 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.422 ' NE2' ' SG ' ' A' ' 24' ' ' CYS . 2.8 mt-30 68.79 7.03 5.89 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.787 0.292 . . . . 0.0 111.787 179.93 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.479 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -94.93 17.49 13.71 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.697 0.284 . . . . 0.0 111.042 179.49 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.479 HG23 ' OE1' ' A' ' 12' ' ' GLN . 39.2 t -142.28 87.01 9.74 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.215 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -68.63 159.61 52.9 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.466 2.111 . . . . 0.0 112.105 179.802 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.561 ' HA ' HG12 ' A' ' 2' ' ' VAL . 13.0 t -64.43 133.81 53.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.296 -179.832 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER -73.3 -1.67 18.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.587 179.443 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.5 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 10.7 m-20 -93.68 142.37 25.03 Favored Pre-proline 0 CA--C 1.53 0.207 0 CA-C-O 120.936 0.398 . . . . 0.0 111.579 -179.454 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -55.5 133.46 58.22 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.587 2.191 . . . . 0.0 111.847 179.627 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 35.0 t 62.89 15.28 8.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 -179.547 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -105.56 132.11 52.12 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 120.705 0.288 . . . . 0.0 110.777 179.735 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.5 t -135.83 143.13 44.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.936 0.398 . . . . 0.0 111.033 -179.819 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.8 t -73.44 111.69 8.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.02 179.868 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.459 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -115.87 156.02 26.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.727 179.847 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 13.0 m -104.29 138.13 41.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.081 -179.715 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.07 -10.49 59.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.293 179.73 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.489 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.24 -155.0 0.57 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.725 179.678 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.489 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.85 -68.54 0.19 Allowed 'General case' 0 N--CA 1.447 -0.601 0 CA-C-O 120.888 0.375 . . . . 0.0 110.36 179.536 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -155.97 81.48 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.673 179.58 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.01 -73.19 0.15 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.738 0.304 . . . . 0.0 111.689 -179.728 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.421 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.4 OUTLIER -83.93 70.5 10.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.973 -179.601 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 23.3 m -99.48 108.62 21.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.272 -179.911 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -138.43 164.6 28.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.682 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -53.46 140.4 28.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.296 -179.666 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.459 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 2.5 tmm_? -140.47 120.81 13.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.47 179.277 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -84.81 25.62 0.91 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.542 -179.829 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 60.46 111.38 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 121.191 0.52 . . . . 0.0 111.052 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -78.86 51.33 3.78 Favored Glycine 0 N--CA 1.453 -0.198 0 CA-C-N 115.385 -0.825 . . . . 0.0 112.884 -179.851 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.749 HG23 ' HA ' ' A' ' 42' ' ' PRO . 0.8 OUTLIER -93.76 78.53 4.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.936 0.398 . . . . 0.0 110.417 179.566 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.01 -15.17 28.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.767 -179.678 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -83.65 -37.35 22.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.85 0.357 . . . . 0.0 110.844 179.88 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 -150.34 67.0 8.04 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.987 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.749 ' HA ' HG23 ' A' ' 38' ' ' THR . 74.5 Cg_endo -75.25 151.47 38.44 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.668 2.245 . . . . 0.0 112.479 -179.866 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 37.8 m -82.46 -118.71 0.02 OUTLIER 'General case' 0 N--CA 1.436 -1.134 0 CA-C-O 121.295 0.569 . . . . 0.0 110.837 179.888 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.315 -0.893 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.027 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.424 ' HB3' ' O ' ' A' ' 14' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.505 0 CA-C-O 120.901 0.381 . . . . 0.0 110.911 . . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.787 HG23 HG12 ' A' ' 13' ' ' VAL . 24.4 t -96.73 158.25 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.028 179.684 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.475 ' N ' HG12 ' A' ' 2' ' ' VAL . 29.0 mtp180 -80.33 -175.94 5.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.071 -179.498 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.489 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 13.5 tp -71.93 -63.13 1.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.043 -179.958 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.7 m80 -85.35 48.48 1.58 Allowed 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.305 -179.789 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -142.1 161.44 37.99 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.16 0.505 . . . . 0.0 111.7 -179.709 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.498 ' HA ' ' HA ' ' A' ' 32' ' ' TYR . 0.8 OUTLIER -99.09 159.51 14.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.187 179.32 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.508 ' CB ' HG21 ' A' ' 2' ' ' VAL . 10.8 p -111.58 -34.44 6.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.691 0.282 . . . . 0.0 111.251 -179.848 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.432 HD23 ' HB3' ' A' ' 7' ' ' SER . 0.7 OUTLIER 27.38 41.96 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.178 -179.742 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 8' ' ' CYS . . . -136.23 -7.74 1.68 Allowed Glycine 0 CA--C 1.521 0.411 0 C-N-CA 120.667 -0.777 . . . . 0.0 113.298 -179.649 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 70.35 -58.73 0.54 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 117.031 0.415 . . . . 0.0 111.48 -179.967 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -91.24 36.02 0.93 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.274 -179.752 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.787 HG12 HG23 ' A' ' 2' ' ' VAL . 20.4 t -140.52 79.05 20.85 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.875 0.369 . . . . 0.0 111.121 179.816 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.424 ' O ' ' HB3' ' A' ' 1' ' ' CYS . 66.5 Cg_endo -75.93 164.21 32.03 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.489 2.126 . . . . 0.0 112.229 179.934 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 t -63.91 138.69 58.58 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.013 0.435 . . . . 0.0 111.111 -179.925 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.46 -7.49 47.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.277 179.433 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.567 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 27.2 t70 -80.57 135.54 52.93 Favored Pre-proline 0 CA--C 1.532 0.253 0 CA-C-O 120.852 0.358 . . . . 0.0 111.45 -179.487 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -53.22 134.93 58.52 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.602 2.201 . . . . 0.0 111.801 179.646 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.453 ' O ' HD12 ' A' ' 36' ' ' LEU . 49.1 t 61.25 18.45 9.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.74 -179.593 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.567 ' HB3' ' HB3' ' A' ' 17' ' ' ASP . . . -123.78 118.87 28.16 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-O 120.921 0.391 . . . . 0.0 111.316 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.432 HG23 ' NE ' ' A' ' 34' ' ' ARG . 9.9 t -126.02 169.08 13.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.141 179.621 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.8 t -70.83 142.73 51.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.022 0.439 . . . . 0.0 111.182 -179.769 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.433 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 47.8 t80 -139.07 138.22 36.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.59 179.906 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.424 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 15.1 m -105.87 133.52 50.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.725 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.62 -10.78 60.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.312 179.792 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.491 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.94 -155.5 0.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.851 179.601 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.491 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.13 -66.43 0.43 Allowed 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 120.88 0.371 . . . . 0.0 110.491 179.628 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -155.97 83.26 1.01 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.729 179.58 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.2 -74.65 0.15 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.692 -179.77 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.424 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.2 OUTLIER -84.1 66.28 9.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.939 0.4 . . . . 0.0 111.057 -179.582 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.433 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 40.9 m -96.68 104.24 16.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 179.871 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.498 ' HA ' ' HA ' ' A' ' 7' ' ' SER . 3.7 p90 -137.47 -179.99 6.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.901 0.381 . . . . 0.0 111.526 -179.897 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.489 ' HB3' ' O ' ' A' ' 4' ' ' LEU . 45.4 t -52.01 136.47 29.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.756 -179.609 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.432 ' NE ' HG23 ' A' ' 21' ' ' THR . 0.0 OUTLIER -139.82 125.08 18.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.037 179.682 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.8 mtmt -84.72 40.81 0.82 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.736 -179.53 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.453 HD12 ' O ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER 49.98 103.62 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.263 0.554 . . . . 0.0 111.812 179.644 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -80.12 57.42 4.62 Favored Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.436 179.662 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -91.15 76.89 6.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.838 0.352 . . . . 0.0 110.7 179.962 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.41 -17.46 54.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.381 -179.827 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.6 mmt -84.42 -46.51 11.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.838 179.876 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -150.35 75.26 8.79 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -85.01 167.93 10.78 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.784 2.323 . . . . 0.0 112.429 -179.931 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 43.2 m -81.6 -117.94 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.052 0 CA-C-O 121.237 0.541 . . . . 0.0 110.653 179.872 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.6 t . . . . . 0 C--N 1.316 -0.868 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.047 -179.907 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 14' ' ' PRO . 2.1 p . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.898 0.38 . . . . 0.0 111.274 . . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.658 HG21 ' HB3' ' A' ' 8' ' ' CYS . 3.5 t -96.82 162.41 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.132 -179.939 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.452 ' N ' HG12 ' A' ' 2' ' ' VAL . 0.4 OUTLIER -79.61 -168.26 1.51 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.904 -179.598 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.9 tp -69.1 -23.56 64.02 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.359 -179.739 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -155.47 66.72 0.63 Allowed 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 120.966 0.413 . . . . 0.0 111.057 179.92 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.583 ' O ' HG11 ' A' ' 2' ' ' VAL . 18.4 tp10 -139.36 160.55 39.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.665 179.798 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.4 ' HA ' ' HA ' ' A' ' 32' ' ' TYR . 20.8 p -76.08 151.81 36.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.127 -179.804 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.658 ' HB3' HG21 ' A' ' 2' ' ' VAL . 20.1 p -111.03 -11.71 14.28 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.244 179.808 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 8' ' ' CYS . 7.0 tp 25.19 96.04 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.16 0.584 . . . . 0.0 112.575 -179.909 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 127.92 -24.04 5.19 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.489 179.8 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.415 ' NE2' ' SG ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER 69.54 3.33 4.15 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -179.865 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.635 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -95.51 -17.51 21.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.754 0.311 . . . . 0.0 110.934 179.502 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.635 HG23 ' OE1' ' A' ' 12' ' ' GLN . 39.8 t -100.0 96.59 5.03 Favored Pre-proline 0 C--N 1.332 -0.19 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.191 -179.719 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.4 ' O ' ' HB2' ' A' ' 1' ' ' CYS . 55.9 Cg_endo -70.93 161.28 46.64 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.41 2.073 . . . . 0.0 112.151 179.751 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.0 t -65.0 146.19 55.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.269 179.986 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 93.2 m -71.89 -8.59 55.31 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.581 179.832 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.493 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 1.5 t70 -93.7 138.45 22.85 Favored Pre-proline 0 C--O 1.234 0.254 0 CA-C-O 121.017 0.437 . . . . 0.0 111.814 -178.96 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -55.55 136.28 73.26 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.55 2.166 . . . . 0.0 111.677 179.234 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 46.6 t 65.54 10.84 6.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.263 -179.409 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -105.79 130.2 53.82 Favored 'General case' 0 N--CA 1.457 -0.084 0 CA-C-O 120.843 0.354 . . . . 0.0 110.69 179.621 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.6 t -133.27 162.66 31.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.687 -179.856 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.5 t -70.75 146.59 49.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.959 0.409 . . . . 0.0 111.187 -179.785 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.432 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 10.6 t80 -144.21 133.98 23.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.505 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.415 ' SG ' ' NE2' ' A' ' 11' ' ' GLN . 34.8 m -99.87 128.59 45.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.958 -179.891 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.401 ' HB2' ' CB ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -72.83 -10.58 59.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.358 179.779 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.494 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -146.13 -154.57 0.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.93 179.7 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.494 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.81 -69.64 0.14 Allowed 'General case' 0 N--CA 1.445 -0.702 0 CA-C-O 120.889 0.376 . . . . 0.0 110.429 179.658 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -155.02 79.33 1.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.783 179.544 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -153.36 -66.21 0.15 Allowed 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.725 -179.704 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.406 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 3.7 m-85 -83.43 59.7 5.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.833 0.349 . . . . 0.0 111.098 -179.618 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.432 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 32.7 m -96.67 104.63 16.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.906 179.892 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.4 ' HA ' ' HA ' ' A' ' 7' ' ' SER . 7.2 p90 -136.06 175.91 9.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.445 -179.908 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.3 t -58.5 142.49 48.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.303 -179.68 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.412 ' HD3' ' HB2' ' A' ' 23' ' ' TYR . 3.6 ttp180 -140.13 118.03 11.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.134 179.433 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.55 20.08 1.81 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.822 -179.409 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 60.57 111.12 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 121.161 0.505 . . . . 0.0 111.037 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.26 53.89 3.52 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.906 -179.91 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.76 75.32 6.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.815 0.34 . . . . 0.0 110.587 179.763 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.82 -17.62 56.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.493 -179.771 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 25.8 ttm -84.61 -42.38 15.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.847 179.93 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.7 m-20 -149.91 73.09 9.54 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.941 179.969 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -79.92 156.84 23.83 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.626 2.217 . . . . 0.0 112.336 -179.932 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 41.8 m -81.89 -117.37 0.02 OUTLIER 'General case' 0 N--CA 1.439 -0.999 0 CA-C-O 121.229 0.538 . . . . 0.0 110.861 179.901 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.7 m . . . . . 0 C--N 1.315 -0.903 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.065 -179.747 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.416 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.466 0 CA-C-O 120.783 0.325 . . . . 0.0 110.873 . . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.591 HG22 HG12 ' A' ' 13' ' ' VAL . 3.0 t -92.79 165.48 1.91 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.288 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.524 179.568 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.471 ' H ' HG12 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -77.99 -169.42 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.092 -179.19 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.9 tp -67.33 -34.06 76.57 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.531 -179.39 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -155.39 72.19 0.8 Allowed 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.208 179.842 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -140.26 162.44 35.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.815 179.868 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.8 t -73.77 146.46 44.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.69 179.862 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.519 ' HB3' HG21 ' A' ' 2' ' ' VAL . 21.3 p -109.74 -25.04 10.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.298 -179.849 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.462 ' C ' ' O ' ' A' ' 8' ' ' CYS . 4.3 tp 24.37 88.19 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.106 -179.943 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.98 -25.28 0.23 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.56 -179.76 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 76.55 -37.58 0.29 Allowed 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.01 34.89 0.84 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.663 0.268 . . . . 0.0 111.072 179.991 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.591 HG12 HG22 ' A' ' 2' ' ' VAL . 28.4 t -142.74 82.21 12.59 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.744 0.307 . . . . 0.0 111.203 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -73.26 161.41 42.99 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.615 2.21 . . . . 0.0 112.455 -179.999 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.3 t -65.16 135.99 56.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.445 -179.943 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.416 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -73.62 -2.6 23.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.695 179.445 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.606 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 16.4 t70 -98.03 137.82 20.9 Favored Pre-proline 0 C--O 1.234 0.287 0 CA-C-O 120.986 0.422 . . . . 0.0 111.82 -179.038 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -54.47 137.9 73.22 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.562 2.174 . . . . 0.0 111.623 179.396 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 41.8 t 63.68 12.09 6.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.872 -179.174 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.606 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -108.0 130.84 55.03 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 120.857 0.36 . . . . 0.0 110.976 179.806 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.5 t -138.51 137.71 37.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.685 -179.923 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 11.9 t -73.58 112.38 9.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 179.936 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.475 ' CD1' ' HG3' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -119.06 156.05 30.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.406 179.743 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.443 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 14.2 m -100.42 132.34 45.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.026 -179.737 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.29 -9.07 58.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.325 179.925 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.49 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -144.43 -154.81 0.55 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.788 179.782 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.49 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.51 -70.58 0.1 Allowed 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 120.972 0.415 . . . . 0.0 110.388 179.511 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -155.77 78.21 0.98 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.756 179.483 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.79 -65.29 0.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -179.721 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.443 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 7.4 m-85 -84.3 63.4 7.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.84 0.352 . . . . 0.0 111.125 -179.492 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 19.4 m -96.63 104.87 16.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.947 179.835 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -138.61 163.15 32.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.27 -179.871 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 1.7 t -57.7 136.71 56.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.156 -179.885 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.475 ' HG3' ' CD1' ' A' ' 23' ' ' TYR . 4.6 mmt-85 -138.57 126.59 22.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.32 179.237 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.61 33.91 0.52 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.838 -179.485 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 57.41 109.2 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.226 0.536 . . . . 0.0 111.205 179.766 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -78.79 54.05 4.1 Favored Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.758 179.921 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 70.0 p -92.94 77.86 4.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.893 0.378 . . . . 0.0 110.472 179.776 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.65 -16.34 37.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.539 -179.851 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -84.38 -37.95 20.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.946 179.784 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -150.45 71.93 9.09 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.193 -179.95 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -75.98 159.48 37.75 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.642 2.228 . . . . 0.0 112.424 179.935 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 53.8 m -82.25 -117.29 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.074 0 CA-C-O 121.239 0.542 . . . . 0.0 110.83 179.954 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.317 -0.835 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.154 -179.817 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.426 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 120.775 0.322 . . . . 0.0 110.8 . . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.537 HG21 ' HB3' ' A' ' 8' ' ' CYS . 4.5 t -93.02 163.13 2.28 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.313 0 CA-C-O 120.892 0.377 . . . . 0.0 110.695 179.769 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.47 ' N ' HG12 ' A' ' 2' ' ' VAL . 14.1 mtt85 -78.7 -164.6 0.6 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.147 -179.131 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.0 tp -68.55 -29.27 67.8 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.156 -179.455 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -155.69 46.08 0.48 Allowed 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.884 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.456 ' O ' HG11 ' A' ' 2' ' ' VAL . 32.2 tp10 -106.43 158.19 17.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.804 179.776 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 57.0 p -74.54 146.12 42.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.071 179.956 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.537 ' HB3' HG21 ' A' ' 2' ' ' VAL . 31.2 p -110.7 -22.07 11.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.221 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 8' ' ' CYS . 27.1 tp 25.67 92.64 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.317 -179.852 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 143.7 -26.99 2.08 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.419 179.94 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 73.4 -7.69 1.49 Allowed 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 111.957 0.355 . . . . 0.0 111.957 -179.995 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.416 ' O ' ' HD3' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -91.61 -15.3 28.8 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 120.686 0.279 . . . . 0.0 111.108 179.747 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.46 HG12 ' CG2' ' A' ' 2' ' ' VAL . 22.0 t -102.91 87.95 1.37 Allowed Pre-proline 0 C--N 1.332 -0.18 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.664 -179.714 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.416 ' HD3' ' O ' ' A' ' 12' ' ' GLN . 51.9 Cg_endo -70.06 160.9 47.98 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.428 2.085 . . . . 0.0 112.178 179.712 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.414 ' SG ' ' HB1' ' A' ' 20' ' ' ALA . 11.9 t -64.97 135.32 55.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.286 -179.947 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.426 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.93 -3.89 28.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.49 179.483 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.499 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -94.89 140.58 22.56 Favored Pre-proline 0 CA--C 1.532 0.264 0 CA-C-O 120.919 0.39 . . . . 0.0 111.698 -179.24 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -55.72 134.82 66.26 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.572 2.181 . . . . 0.0 111.749 179.558 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.2 t 64.24 13.2 7.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.111 -179.535 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -105.37 130.7 53.42 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.907 0.385 . . . . 0.0 111.045 179.679 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.6 t -136.68 143.7 43.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.791 -179.986 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.3 t -73.75 135.24 43.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.239 -179.9 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.496 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 1.5 p90 -132.48 142.3 49.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.563 179.519 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 21.4 m -97.07 131.36 43.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.293 -179.575 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.47 -8.98 58.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.272 179.633 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.499 ' CE1' ' CE1' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -144.02 -154.41 0.53 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.711 179.685 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.499 ' CE1' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.37 -71.54 0.08 Allowed 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 120.92 0.391 . . . . 0.0 110.361 179.626 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -155.91 77.32 0.95 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.682 179.431 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.8 -64.19 0.16 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.68 0.276 . . . . 0.0 111.711 -179.669 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.4 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 3.9 m-85 -84.29 64.64 8.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.806 0.336 . . . . 0.0 111.085 -179.581 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 8.6 m -99.96 116.08 31.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.227 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.483 ' N ' ' CD1' ' A' ' 32' ' ' TYR . 0.5 OUTLIER -139.31 160.02 40.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.135 179.774 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.5 t -57.72 143.29 42.32 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.413 -179.662 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.496 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 39.6 ttt85 -140.12 128.05 22.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.442 179.256 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.04 27.15 0.79 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.744 -179.723 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 57.79 109.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.16 0.505 . . . . 0.0 111.271 179.93 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.12 55.06 3.56 Favored Glycine 0 N--CA 1.453 -0.189 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.516 179.98 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.2 p -91.96 77.21 5.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.905 0.383 . . . . 0.0 110.658 179.696 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.13 -16.93 49.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.469 -179.842 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 5.8 mtt -84.45 -38.05 20.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.853 179.908 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -150.35 73.21 9.15 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.099 179.977 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.82 152.65 37.25 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.67 2.246 . . . . 0.0 112.377 179.985 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 43.6 m -82.23 -117.21 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.081 0 CA-C-O 121.11 0.481 . . . . 0.0 111.036 179.916 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.4 t . . . . . 0 C--N 1.316 -0.86 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.123 -179.75 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.407 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 120.81 0.338 . . . . 0.0 110.833 . . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.534 ' CG2' HG12 ' A' ' 13' ' ' VAL . 6.5 t -93.46 162.48 2.39 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.289 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.718 179.77 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.475 ' N ' HG12 ' A' ' 2' ' ' VAL . 17.4 mmt85 -78.59 -165.08 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 -179.19 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.9 tp -68.53 -29.73 68.38 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.095 -179.781 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -155.47 75.47 0.93 Allowed 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.024 179.801 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -136.82 168.08 20.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.539 179.874 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 38.7 t -86.07 145.21 27.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.156 -179.835 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.653 ' C ' HD23 ' A' ' 9' ' ' LEU . 20.5 p -110.23 -16.6 13.72 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.282 179.973 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.653 HD23 ' C ' ' A' ' 8' ' ' CYS . 0.6 OUTLIER 26.18 95.4 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -179.897 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 131.08 -22.13 4.53 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.471 179.906 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 68.88 4.88 4.69 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 111.573 0.212 . . . . 0.0 111.573 -179.76 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.697 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -93.77 -19.41 21.08 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.69 0.281 . . . . 0.0 110.823 179.668 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.697 HG23 ' OE1' ' A' ' 12' ' ' GLN . 33.5 t -102.85 87.85 1.33 Allowed Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.303 -179.828 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.425 ' HD3' ' O ' ' A' ' 12' ' ' GLN . 45.9 Cg_endo -69.44 159.66 52.8 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.378 2.052 . . . . 0.0 112.202 179.811 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.8 t -64.86 135.86 56.22 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.257 -179.924 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.407 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.55 -5.63 38.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.339 179.288 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.472 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.8 OUTLIER -87.84 143.38 33.38 Favored Pre-proline 0 C--O 1.233 0.234 0 CA-C-O 120.867 0.365 . . . . 0.0 111.636 -179.407 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_endo -56.55 132.0 49.15 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.706 2.271 . . . . 0.0 111.822 179.513 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.473 ' SG ' HD13 ' A' ' 36' ' ' LEU . 48.8 t 62.24 16.36 8.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 -179.447 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -105.88 130.73 53.79 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.77 0.319 . . . . 0.0 111.134 179.796 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.471 HG22 ' NE ' ' A' ' 34' ' ' ARG . 0.3 OUTLIER -137.57 160.06 40.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.504 179.985 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.6 t -72.35 151.7 42.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.047 0.451 . . . . 0.0 111.079 -179.846 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.4 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 87.1 t80 -155.47 138.36 15.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.557 179.908 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 22.1 m -98.75 131.8 44.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.123 -179.83 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.89 -10.29 59.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.013 0.435 . . . . 0.0 111.312 179.783 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.492 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.26 -155.15 0.59 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.847 179.634 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.492 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.96 -68.29 0.22 Allowed 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 120.987 0.422 . . . . 0.0 110.427 179.518 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -155.84 80.77 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.769 179.635 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.86 -70.74 0.15 Allowed 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -179.705 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.405 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 1.5 m-85 -84.22 66.31 9.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.856 0.36 . . . . 0.0 111.144 -179.46 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 27.9 m -97.84 104.24 16.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.648 179.814 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -134.11 177.9 7.38 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.473 -179.749 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.9 t -68.43 138.79 55.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.571 -179.483 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.471 ' NE ' HG22 ' A' ' 21' ' ' THR . 0.0 OUTLIER -142.04 119.29 11.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.375 178.766 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -83.19 49.71 1.6 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.265 -0.425 . . . . 0.0 112.118 -178.734 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.473 HD13 ' SG ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER 48.55 103.75 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.221 0.534 . . . . 0.0 111.832 179.365 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -71.37 56.48 1.18 Allowed Glycine 0 C--N 1.322 -0.222 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.66 179.755 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.01 76.51 4.72 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.782 0.325 . . . . 0.0 110.738 179.817 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.64 -17.45 55.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.387 -179.937 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.89 -48.37 9.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.914 179.967 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -150.13 79.36 7.62 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.244 -179.962 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -78.54 168.48 21.25 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.621 2.214 . . . . 0.0 112.313 179.842 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 47.4 m -82.08 -117.55 0.02 OUTLIER 'General case' 0 N--CA 1.439 -1.003 0 CA-C-O 121.209 0.528 . . . . 0.0 110.82 179.913 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.316 -0.85 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.995 -179.823 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.435 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 120.795 0.331 . . . . 0.0 110.875 . . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.55 HG21 ' HB3' ' A' ' 8' ' ' CYS . 2.7 t -94.34 166.09 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.668 179.769 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.491 ' H ' HG12 ' A' ' 2' ' ' VAL . 76.7 mtt180 -78.02 -166.86 0.87 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.982 -179.321 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 14.5 tp -69.05 -37.36 78.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.286 -179.512 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -154.78 68.21 0.71 Allowed 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.096 179.846 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -139.59 169.65 17.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.833 179.85 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 70.0 p -65.13 144.75 57.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.714 179.787 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.55 ' HB3' HG21 ' A' ' 2' ' ' VAL . 21.3 p -109.42 -26.46 9.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.213 -179.888 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.592 HD12 ' O ' ' A' ' 9' ' ' LEU . 1.6 pp 22.26 93.36 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.235 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 164.49 -23.66 0.17 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.943 -179.894 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 74.24 -52.25 0.69 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.701 0.251 . . . . 0.0 111.549 -179.974 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.811 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -87.1 10.03 17.97 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.585 0.217 . . . . 0.0 111.585 -179.876 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.811 HG23 ' OE1' ' A' ' 12' ' ' GLN . 23.4 t -105.75 84.87 1.32 Allowed Pre-proline 0 C--N 1.332 -0.169 0 CA-C-O 120.749 0.309 . . . . 0.0 111.042 179.673 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.421 ' O ' ' HB3' ' A' ' 1' ' ' CYS . 52.0 Cg_endo -70.4 160.55 49.14 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.505 2.137 . . . . 0.0 112.342 179.866 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.6 t -64.62 138.52 58.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.203 -179.959 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.435 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.1 -5.61 36.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.478 179.668 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.576 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 9.1 m-20 -96.08 135.39 22.74 Favored Pre-proline 0 C--O 1.234 0.271 0 CA-C-O 120.884 0.373 . . . . 0.0 111.654 -179.235 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -54.24 137.67 71.17 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.558 2.172 . . . . 0.0 111.596 179.433 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.8 t 64.41 11.93 6.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.468 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.576 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -107.59 132.38 53.34 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 120.769 0.318 . . . . 0.0 111.115 179.82 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.4 t -137.52 144.6 42.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.791 -179.997 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 46.7 t -72.1 122.28 20.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.89 0.376 . . . . 0.0 111.236 -179.789 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -113.36 140.03 48.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.532 179.593 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 57.2 m -103.13 126.39 50.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.971 -179.86 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.18 -9.96 59.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.537 179.798 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.52 ' CD2' ' CZ ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -144.28 -159.09 0.95 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.77 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.52 ' CZ ' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.69 -67.62 0.29 Allowed 'General case' 0 N--CA 1.444 -0.743 0 CA-C-O 120.896 0.379 . . . . 0.0 110.427 179.541 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -154.97 76.72 1.0 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.71 179.496 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.49 -65.39 0.16 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.525 -179.71 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -84.4 62.04 6.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.827 0.346 . . . . 0.0 111.039 -179.715 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 51.4 m -99.23 109.92 22.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.814 179.976 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -136.12 158.0 45.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 179.894 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.42 ' SG ' ' HB1' ' A' ' 20' ' ' ALA . 5.8 t -57.53 144.04 38.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.034 0.445 . . . . 0.0 111.11 -179.82 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -138.13 126.65 23.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.318 179.512 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.98 22.33 1.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.792 -179.686 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 58.55 109.08 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.165 0.507 . . . . 0.0 111.366 179.804 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.18 56.19 4.84 Favored Glycine 0 N--CA 1.451 -0.315 0 CA-C-N 115.425 -0.807 . . . . 0.0 112.53 179.875 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.15 75.61 7.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.893 0.377 . . . . 0.0 110.763 179.91 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.99 -17.38 56.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.527 -179.789 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -84.7 -42.7 15.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.783 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -150.07 73.22 9.38 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.815 179.945 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -80.67 164.15 20.93 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.644 2.229 . . . . 0.0 112.405 -179.925 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 49.9 m -81.41 -116.15 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.058 0 CA-C-O 121.141 0.495 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 p . . . . . 0 C--N 1.315 -0.905 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.985 -179.713 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.444 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.452 0 CA-C-O 120.702 0.287 . . . . 0.0 110.926 . . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.521 HG12 ' H ' ' A' ' 3' ' ' ARG . 1.7 t -94.25 168.84 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.612 179.801 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.521 ' H ' HG12 ' A' ' 2' ' ' VAL . 15.9 mmt85 -79.1 -165.09 0.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.982 -179.3 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.656 HD12 ' OD2' ' A' ' 17' ' ' ASP . 8.0 tp -68.82 -37.55 79.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.191 -179.574 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -154.92 68.9 0.71 Allowed 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.155 179.854 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -139.97 161.73 36.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.639 179.701 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.9 m -56.59 150.9 14.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.459 ' O ' ' C ' ' A' ' 9' ' ' LEU . 30.5 p -107.33 -29.37 9.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.179 -179.826 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.595 HD12 ' O ' ' A' ' 9' ' ' LEU . 1.6 pp 22.13 95.36 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.274 179.853 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 159.99 -19.37 0.24 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.969 -179.909 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 71.06 -55.11 0.66 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.792 0.296 . . . . 0.0 111.347 -179.801 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.763 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -91.29 38.32 0.97 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.825 0.345 . . . . 0.0 110.829 179.824 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.763 HG23 ' OE1' ' A' ' 12' ' ' GLN . 21.7 t -135.25 83.22 39.16 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.006 179.815 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.406 ' O ' ' HB3' ' A' ' 1' ' ' CYS . 57.9 Cg_endo -72.43 162.65 40.86 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.605 2.203 . . . . 0.0 112.395 -179.859 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.7 t -64.31 139.82 58.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.405 -179.975 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.444 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.33 -6.31 42.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.508 179.523 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.656 ' OD2' HD12 ' A' ' 4' ' ' LEU . 76.4 m-20 -94.76 136.09 23.28 Favored Pre-proline 0 CA--C 1.531 0.231 0 CA-C-O 120.869 0.366 . . . . 0.0 111.659 -179.204 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -55.04 136.14 71.77 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.509 2.14 . . . . 0.0 111.617 179.476 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.7 t 64.48 12.59 7.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.955 -179.484 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -106.54 131.78 53.31 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.76 0.315 . . . . 0.0 110.921 179.76 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 t -137.06 148.7 46.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.893 -179.852 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 54.1 t -71.6 115.24 10.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.166 -179.862 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -106.22 140.77 38.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.664 179.662 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 69.5 m -103.39 120.9 41.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.403 ' HB2' ' HB3' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -73.27 -9.58 58.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.591 -179.894 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.493 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.29 -159.07 0.96 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.878 179.663 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.493 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -57.11 -67.45 0.32 Allowed 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 120.961 0.41 . . . . 0.0 110.354 179.576 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -155.14 74.17 0.9 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.756 179.597 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.56 -62.18 0.16 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.552 -179.686 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.403 ' HB3' ' HB2' ' A' ' 25' ' ' ARG . 23.9 m-85 -84.54 58.0 4.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.867 0.365 . . . . 0.0 110.853 -179.732 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 62.2 m -98.6 101.69 13.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.899 179.881 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -135.83 160.56 38.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 -179.908 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.41 ' SG ' ' HB1' ' A' ' 20' ' ' ALA . 8.6 t -54.45 144.77 20.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.079 0.466 . . . . 0.0 111.183 -179.73 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.56 129.23 26.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.366 179.528 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.79 8.01 16.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.785 -179.646 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.49 110.81 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 121.142 0.496 . . . . 0.0 111.238 179.736 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -84.91 54.81 4.95 Favored Glycine 0 N--CA 1.452 -0.3 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.471 -179.987 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 76.0 p -90.57 76.11 6.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.863 0.363 . . . . 0.0 110.683 179.846 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.48 -18.17 57.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.465 -179.841 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.51 -32.49 23.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.746 179.789 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -150.16 64.66 6.92 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.834 179.883 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.98 150.77 30.24 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.65 2.233 . . . . 0.0 112.308 -179.848 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 40.0 m -81.73 -116.91 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.099 0 CA-C-O 121.156 0.503 . . . . 0.0 110.866 179.908 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.9 m . . . . . 0 C--N 1.315 -0.901 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.005 -179.745 . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.425 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.758 0.314 . . . . 0.0 110.842 . . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.517 HG23 HG12 ' A' ' 13' ' ' VAL . 9.6 t -93.62 163.23 2.28 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.241 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.769 179.789 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.501 ' N ' HG12 ' A' ' 2' ' ' VAL . 5.4 mtt180 -78.12 -162.52 0.35 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.255 -179.124 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.3 tp -67.85 -32.9 73.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.085 -179.566 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.81 47.33 0.55 Allowed 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.194 179.963 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.414 ' O ' HG11 ' A' ' 2' ' ' VAL . 45.4 tp10 -104.67 161.43 14.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.695 179.551 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.2 t -80.48 149.61 29.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.959 -179.93 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.473 ' HB3' HG21 ' A' ' 2' ' ' VAL . 5.9 p -109.37 -6.98 15.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.426 -179.933 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.518 ' N ' HD23 ' A' ' 9' ' ' LEU . 0.5 OUTLIER 24.25 94.58 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.538 0.569 . . . . 0.0 112.538 179.946 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.6 -20.78 7.29 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.498 179.942 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 70.65 2.17 4.01 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 -179.869 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -95.05 23.25 5.79 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.651 0.262 . . . . 0.0 110.859 179.436 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.517 HG12 HG23 ' A' ' 2' ' ' VAL . 24.9 t -141.58 91.62 8.37 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.171 -179.602 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -68.76 158.02 59.48 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.388 2.058 . . . . 0.0 112.249 179.845 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.9 t -65.23 134.54 53.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.429 179.999 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.425 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.4 -5.65 37.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.245 179.215 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.501 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -92.81 138.31 23.6 Favored Pre-proline 0 C--O 1.234 0.267 0 CA-C-O 120.948 0.404 . . . . 0.0 111.54 -179.332 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -54.72 134.44 62.6 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.624 2.216 . . . . 0.0 112.035 179.551 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 34.9 t 63.86 13.73 7.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.282 -179.739 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -105.87 135.02 48.06 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.634 0.254 . . . . 0.0 110.728 179.622 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 t -139.72 148.62 42.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.897 0.38 . . . . 0.0 111.349 -179.611 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.57 138.16 44.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.094 179.695 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.451 ' CD1' ' HB3' ' A' ' 34' ' ' ARG . 0.8 OUTLIER -141.12 146.23 36.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.597 179.769 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 35.3 m -100.24 130.77 46.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.066 -179.875 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.8 -11.23 60.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.208 179.833 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.498 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.94 -155.54 0.63 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.828 179.701 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.498 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.98 -68.78 0.18 Allowed 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 120.974 0.416 . . . . 0.0 110.514 179.527 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -154.46 80.32 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.693 179.576 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -153.05 -70.29 0.15 Allowed 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 -179.825 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.403 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 20.9 m-85 -84.28 65.52 8.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.243 -179.433 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 32.2 m -99.01 104.36 16.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.989 179.826 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.435 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 2.4 p90 -139.12 165.72 26.42 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.064 0.459 . . . . 0.0 111.366 -179.924 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.0 t -58.29 147.4 30.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.362 -179.845 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.451 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -139.91 134.16 31.22 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.387 179.023 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -85.86 15.42 4.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.796 -179.508 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.65 111.35 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.113 0.482 . . . . 0.0 111.138 179.971 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.78 54.55 3.39 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.596 179.96 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.2 p -89.97 76.1 7.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.872 0.368 . . . . 0.0 110.648 179.833 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.62 -16.91 52.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.58 -179.844 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 20.9 mtm -84.27 -41.79 16.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.89 0.376 . . . . 0.0 110.867 179.912 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -150.16 73.1 9.33 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 179.818 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -77.55 151.59 29.02 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.566 2.177 . . . . 0.0 112.322 -179.878 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 36.7 m -82.38 -118.1 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.075 0 CA-C-O 121.165 0.507 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.315 -0.895 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.005 -179.812 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.9 p . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.854 0.359 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.664 HG21 ' HB3' ' A' ' 8' ' ' CYS . 3.1 t -96.25 163.25 2.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.2 -179.785 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.451 ' N ' HG12 ' A' ' 2' ' ' VAL . 19.9 mtt180 -78.62 -166.12 0.82 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.152 -179.509 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 tp -69.11 -24.81 64.16 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.73 -179.474 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -156.33 40.2 0.36 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 120.906 0.384 . . . . 0.0 111.294 -179.914 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.58 ' O ' HG11 ' A' ' 2' ' ' VAL . 14.5 tt0 -105.17 159.44 15.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.634 179.546 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 24.3 p -73.91 148.66 42.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.841 179.993 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.664 ' HB3' HG21 ' A' ' 2' ' ' VAL . 17.1 p -109.41 -24.58 10.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.202 -179.879 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.63 HD12 ' O ' ' A' ' 9' ' ' LEU . 1.5 pp 25.87 93.1 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.298 -179.815 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 141.82 -28.27 2.28 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.425 179.912 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 74.54 -14.2 0.74 Allowed 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.187 0.439 . . . . 0.0 112.187 -179.957 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -88.56 -12.58 42.35 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 120.658 0.266 . . . . 0.0 111.125 -179.906 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.1 t -101.78 90.09 1.75 Allowed Pre-proline 0 C--N 1.332 -0.18 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.548 -179.643 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -68.21 158.66 56.53 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.386 2.058 . . . . 0.0 112.201 179.682 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.4 t -65.08 149.29 50.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.254 -179.975 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.5 m -74.45 1.72 11.16 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.833 -0.622 . . . . 0.0 112.317 -179.912 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.557 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 5.7 m-20 -111.92 140.25 23.19 Favored Pre-proline 0 CA--C 1.532 0.272 0 CA-C-O 121.044 0.449 . . . . 0.0 111.988 -178.951 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -55.49 137.57 78.05 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.551 2.167 . . . . 0.0 111.471 179.24 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.5 t 64.97 10.93 6.65 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 -179.336 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -103.42 124.67 49.14 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-O 120.792 0.329 . . . . 0.0 110.769 179.568 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.7 t -130.54 163.47 27.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.763 -179.775 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.0 t -70.49 140.06 51.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.996 0.427 . . . . 0.0 111.208 -179.845 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.411 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 38.8 t80 -134.52 126.03 28.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.399 179.963 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 13.2 m -96.69 130.33 43.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.208 -179.676 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.57 -8.91 57.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.223 179.497 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.537 ' CD2' ' CZ ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -142.77 -157.0 0.73 Allowed 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 179.666 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.537 ' CZ ' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.61 -68.62 0.18 Allowed 'General case' 0 N--CA 1.445 -0.677 0 CA-C-O 120.881 0.372 . . . . 0.0 110.371 179.597 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.9 p-10 -155.91 80.69 1.0 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.685 179.573 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.1 -70.73 0.16 Allowed 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -179.685 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.4 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.3 OUTLIER -83.9 67.21 9.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.911 0.386 . . . . 0.0 111.158 -179.509 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 13.9 m -99.09 113.13 25.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.99 179.944 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -133.87 165.38 25.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.149 179.965 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.9 t -56.01 141.19 40.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.105 0.478 . . . . 0.0 111.274 -179.844 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.8 mmm-85 -142.17 125.12 16.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.133 179.338 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.4 mtmp? -84.54 19.97 1.83 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.824 -179.687 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 58.97 109.37 0.02 OUTLIER 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.16 0.505 . . . . 0.0 111.252 179.796 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.35 55.67 4.38 Favored Glycine 0 N--CA 1.451 -0.329 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.555 179.919 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -89.97 75.16 7.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.855 0.36 . . . . 0.0 110.598 179.841 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.82 -17.87 57.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.438 -179.999 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 43.6 tpp -84.76 -42.04 15.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.865 179.876 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -150.33 73.87 9.07 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.154 -179.972 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -79.48 162.88 24.72 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.7 2.267 . . . . 0.0 112.287 -179.999 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 48.4 m -82.17 -117.82 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.09 0 CA-C-O 121.203 0.525 . . . . 0.0 110.877 179.916 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 C--N 1.317 -0.843 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.085 -179.758 . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.792 0.329 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.593 HG21 ' HB3' ' A' ' 8' ' ' CYS . 11.4 t -95.8 161.78 2.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.299 -179.756 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.501 ' N ' HG12 ' A' ' 2' ' ' VAL . 1.7 mtt85 -78.22 -169.47 1.63 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.73 -179.463 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.9 tp -67.56 -30.21 69.78 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 120.804 0.335 . . . . 0.0 111.335 -179.508 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -154.89 69.87 0.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.228 179.884 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.432 ' HB2' ' HB2' ' A' ' 3' ' ' ARG . 5.5 tt0 -140.59 163.11 33.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.658 179.584 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 40.1 t -72.54 153.7 41.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.593 ' HB3' HG21 ' A' ' 2' ' ' VAL . 25.5 p -108.63 1.05 21.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.499 179.914 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.9 OUTLIER 22.45 95.88 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 179.77 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 117.91 -24.88 8.68 Favored Glycine 0 C--N 1.33 0.215 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.643 179.749 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 74.45 -6.3 1.92 Allowed 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.78 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.642 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -96.12 34.94 1.49 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.912 0.387 . . . . 0.0 110.767 179.476 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.642 HG23 ' OE1' ' A' ' 12' ' ' GLN . 35.5 t -140.14 93.46 9.15 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.179 -179.8 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -62.98 152.38 79.67 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.325 2.017 . . . . 0.0 112.405 -179.895 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.7 t -65.65 146.23 55.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.57 -179.862 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 99.2 m -72.2 -10.34 59.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.376 179.476 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.537 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 1.9 m-20 -99.41 135.26 20.72 Favored Pre-proline 0 C--O 1.234 0.246 0 CA-C-O 120.961 0.41 . . . . 0.0 112.016 -178.953 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -54.7 139.36 76.99 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.503 2.135 . . . . 0.0 111.511 179.207 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.5 t 66.15 7.64 4.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.253 -179.372 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -105.52 132.2 51.98 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 120.719 0.295 . . . . 0.0 110.839 179.555 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.6 t -139.26 147.14 41.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.048 -179.654 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 50.5 t -73.44 138.93 45.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.133 179.793 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.474 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -142.3 150.47 40.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.633 179.626 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 35.9 m -100.69 122.68 43.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.048 -179.872 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.415 ' HB2' ' HB3' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -73.44 -8.94 58.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.377 179.881 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.505 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -144.93 -155.97 0.66 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.968 179.656 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.505 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.17 -69.85 0.13 Allowed 'General case' 0 N--CA 1.445 -0.688 0 CA-C-O 120.86 0.362 . . . . 0.0 110.514 179.635 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -155.45 75.57 0.93 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.781 179.564 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.82 -59.35 0.14 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.572 -179.817 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.44 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 3.7 m-85 -85.1 55.47 3.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.114 -179.697 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.474 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 37.9 m -95.83 96.66 9.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.761 179.908 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -139.28 165.44 27.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.107 0.479 . . . . 0.0 111.708 -179.758 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 4.7 t -55.67 146.49 20.82 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.579 -179.795 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.459 ' CG ' ' CD1' ' A' ' 23' ' ' TYR . 4.8 mmm180 -138.67 128.24 24.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.164 179.293 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.49 10.02 9.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.932 -179.623 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.06 110.72 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 121.185 0.517 . . . . 0.0 111.221 179.808 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -83.08 55.63 5.04 Favored Glycine 0 N--CA 1.452 -0.277 0 CA-C-N 115.432 -0.804 . . . . 0.0 112.506 179.973 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.2 p -89.74 74.97 7.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.925 0.393 . . . . 0.0 110.678 179.897 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.86 -18.51 60.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.483 -179.954 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.63 -36.3 22.09 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.78 179.898 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -150.22 69.0 8.87 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -76.74 155.09 34.93 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.532 2.155 . . . . 0.0 112.204 179.917 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 41.7 m -81.9 -117.46 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.031 0 CA-C-O 121.217 0.532 . . . . 0.0 110.754 179.986 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.2 m . . . . . 0 C--N 1.317 -0.846 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.115 -179.68 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.449 0 CA-C-O 120.948 0.404 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.813 HG12 ' HA ' ' A' ' 15' ' ' CYS . 0.3 OUTLIER -94.98 177.95 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.699 179.682 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.438 ' H ' HG22 ' A' ' 2' ' ' VAL . 5.6 mmt180 -79.7 -163.56 0.54 Allowed 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.994 -179.49 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 40.0 tp -68.83 -39.69 79.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.392 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -155.85 77.69 0.97 Allowed 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 120.878 0.37 . . . . 0.0 111.849 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.721 ' CG ' HG22 ' A' ' 2' ' ' VAL . 7.0 pt-20 -140.51 174.31 10.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.561 179.103 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.89 143.02 51.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.881 0.372 . . . . 0.0 111.304 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' A' ' 9' ' ' LEU . 24.2 p -109.49 -2.57 17.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.226 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.624 ' O ' HD12 ' A' ' 9' ' ' LEU . 1.9 pp 22.32 99.52 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.48 -24.67 8.0 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.846 179.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 69.92 2.48 3.9 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.63 0.233 . . . . 0.0 111.63 -179.613 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.885 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -93.49 -10.28 35.48 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.694 0.283 . . . . 0.0 111.001 179.498 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.885 HG23 ' OE1' ' A' ' 12' ' ' GLN . 41.9 t -100.93 90.56 1.58 Allowed Pre-proline 0 C--N 1.333 -0.152 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.118 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.414 ' HD3' ' O ' ' A' ' 12' ' ' GLN . 28.7 Cg_endo -64.9 153.74 76.54 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.337 2.025 . . . . 0.0 112.089 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.813 ' HA ' HG12 ' A' ' 2' ' ' VAL . 6.1 t -66.11 136.0 55.36 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.474 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.488 ' HB2' ' O ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER -72.05 -7.15 47.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.08 179.126 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.489 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.5 OUTLIER -90.87 133.28 32.53 Favored Pre-proline 0 C--O 1.234 0.244 0 CA-C-O 120.988 0.423 . . . . 0.0 111.346 -179.622 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -53.74 134.9 60.69 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.575 2.183 . . . . 0.0 112.079 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 33.9 t 63.98 13.75 7.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.575 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -105.12 134.31 48.44 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 120.637 0.256 . . . . 0.0 110.901 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 t -137.7 146.39 43.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.254 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 5.4 t -73.05 131.54 42.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.199 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.442 ' CD1' ' HG3' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -131.44 148.01 52.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.484 179.602 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.443 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 40.2 m -99.66 128.12 45.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.129 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.17 -10.52 59.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.319 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.491 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.45 -154.76 0.56 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.888 179.72 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.491 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.65 -71.0 0.09 Allowed 'General case' 0 N--CA 1.445 -0.715 0 CA-C-O 120.912 0.387 . . . . 0.0 110.535 179.562 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -155.19 75.88 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.779 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -153.09 -61.57 0.15 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.856 0.36 . . . . 0.0 111.585 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.409 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 9.6 m-85 -84.33 59.02 5.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.832 -179.668 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.443 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 31.0 m -97.57 103.07 14.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -137.68 163.61 30.86 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.435 ' HB2' HG11 ' A' ' 2' ' ' VAL . 13.5 t -53.99 145.97 15.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.13 0.491 . . . . 0.0 111.384 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.442 ' HG3' ' CD1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -139.05 127.92 23.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.389 179.36 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.22 14.09 4.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.718 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.61 111.15 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 121.201 0.524 . . . . 0.0 111.205 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.16 54.51 3.53 Favored Glycine 0 N--CA 1.451 -0.308 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.581 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.6 p -91.28 77.11 5.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.934 0.397 . . . . 0.0 110.59 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.06 -17.13 50.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.61 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.8 ttm -84.03 -38.27 21.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.832 0.348 . . . . 0.0 110.784 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -150.26 69.41 8.93 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.758 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_endo -77.91 145.82 22.77 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.671 2.247 . . . . 0.0 112.533 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 36.6 m -82.29 -118.34 0.02 OUTLIER 'General case' 0 N--CA 1.435 -1.184 0 CA-C-O 121.285 0.564 . . . . 0.0 110.815 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -82.09 88.16 6.45 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.989 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.85 66.27 0.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.559 ' OXT' HG22 ' A' ' 46' ' ' THR . 17.5 m . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.415 ' HB3' ' O ' ' A' ' 14' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.474 0 CA-C-O 120.759 0.314 . . . . 0.0 110.931 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.747 HG12 ' HA ' ' A' ' 15' ' ' CYS . 0.8 OUTLIER -94.16 -179.35 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.578 179.522 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.574 ' H ' HG22 ' A' ' 2' ' ' VAL . 6.5 mtm180 -79.73 -169.36 1.93 Allowed 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.075 -179.207 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.586 HD12 ' CG ' ' A' ' 17' ' ' ASP . 6.6 tp -68.23 -33.94 75.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.229 -179.527 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.69 71.84 0.83 Allowed 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.057 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -138.92 167.51 21.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.683 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.4 p -65.54 142.52 58.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.731 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.842 ' C ' HD23 ' A' ' 9' ' ' LEU . 27.9 p -108.38 -20.34 13.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.318 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.842 HD23 ' C ' ' A' ' 8' ' ' CYS . 1.9 pt? 18.18 98.9 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.257 0.623 . . . . 0.0 112.649 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 147.48 -28.58 1.49 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.42 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 74.89 -31.56 0.21 Allowed 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.904 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -88.01 0.49 55.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.477 0.18 . . . . 0.0 111.42 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.904 HG23 ' OE1' ' A' ' 12' ' ' GLN . 27.1 t -105.29 86.41 1.64 Allowed Pre-proline 0 C--N 1.331 -0.209 0 CA-C-O 120.673 0.273 . . . . 0.0 111.261 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.415 ' O ' ' HB3' ' A' ' 1' ' ' CYS . 43.6 Cg_endo -69.7 158.35 57.33 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.467 2.112 . . . . 0.0 112.327 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.747 ' HA ' HG12 ' A' ' 2' ' ' VAL . 6.9 t -66.39 137.91 57.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.505 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.468 ' HB2' ' O ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER -72.77 -6.48 45.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.322 179.245 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.586 ' CG ' HD12 ' A' ' 4' ' ' LEU . 1.0 OUTLIER -91.67 135.52 27.61 Favored Pre-proline 0 C--O 1.233 0.224 0 CA-C-O 120.814 0.34 . . . . 0.0 111.679 -179.278 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -55.26 135.88 70.97 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.488 2.125 . . . . 0.0 111.689 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.9 t 63.66 13.98 7.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.839 -179.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -107.12 128.24 54.21 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-O 120.903 0.382 . . . . 0.0 111.048 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.3 t -134.84 143.3 46.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.65 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 29.6 t -71.7 149.16 45.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.967 0.413 . . . . 0.0 111.274 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.446 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -153.83 151.25 29.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.587 179.666 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 8.3 m -104.25 138.7 40.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.022 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.58 -11.0 60.47 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.242 179.621 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.491 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.38 -155.22 0.59 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.844 179.745 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.491 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.96 -66.82 0.36 Allowed 'General case' 0 N--CA 1.445 -0.724 0 CA-C-O 120.924 0.392 . . . . 0.0 110.554 179.531 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -156.08 83.44 1.0 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.636 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -150.82 -77.37 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.709 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.4 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 5.0 m-85 -84.39 71.53 10.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.891 0.377 . . . . 0.0 111.172 -179.457 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.3 m -98.3 108.58 21.31 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.963 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -137.12 171.14 14.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.058 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.412 ' SG ' ' HB1' ' A' ' 20' ' ' ALA . 14.1 t -61.51 145.24 52.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.42 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.446 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 17.0 ttt85 -136.67 117.79 14.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.237 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 38.4 mtpt -84.91 22.17 1.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.905 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 58.47 109.01 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 121.262 0.553 . . . . 0.0 111.305 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -82.16 53.93 4.81 Favored Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.478 -0.783 . . . . 0.0 112.641 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.4 p -91.78 76.8 5.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.894 0.378 . . . . 0.0 110.595 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.58 -16.99 53.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.483 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -84.09 -38.55 20.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.862 0.363 . . . . 0.0 110.797 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -150.19 69.41 8.98 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -78.01 158.44 30.69 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.614 2.21 . . . . 0.0 112.42 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 50.5 m -81.51 -116.64 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.051 0 CA-C-O 121.154 0.502 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.6 m -81.01 107.71 14.06 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.053 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.7 tpp85 -155.15 91.45 1.35 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.77 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.818 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.43 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.449 0 CA-C-O 120.757 0.313 . . . . 0.0 110.925 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.509 HG21 ' HB3' ' A' ' 8' ' ' CYS . 3.1 t -94.04 164.62 2.06 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.274 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.638 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.454 ' H ' HG12 ' A' ' 2' ' ' VAL . 3.4 mtt85 -78.57 -166.38 0.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.925 -179.082 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 tp -68.66 -34.47 75.76 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.425 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.91 68.03 0.7 Allowed 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.181 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -140.32 158.31 44.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.599 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.6 t -60.14 151.55 26.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.608 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.509 ' HB3' HG21 ' A' ' 2' ' ' VAL . 20.9 p -107.66 -26.94 10.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.217 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.578 HD12 ' O ' ' A' ' 9' ' ' LEU . 1.6 pp 23.7 93.07 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.285 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.6 -22.62 0.25 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.733 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 74.59 -51.7 0.68 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.675 0.238 . . . . 0.0 111.471 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -90.55 36.92 0.9 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.843 0.354 . . . . 0.0 111.067 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.5 t -136.98 83.2 28.87 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.036 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.415 ' O ' ' HB3' ' A' ' 1' ' ' CYS . 58.8 Cg_endo -72.76 163.75 37.54 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.607 2.205 . . . . 0.0 112.241 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.7 t -63.89 140.37 58.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.275 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.43 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.65 -4.15 29.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.764 179.718 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.495 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 4.0 m-20 -96.87 141.95 23.82 Favored Pre-proline 0 C--O 1.233 0.228 0 CA-C-O 120.999 0.428 . . . . 0.0 111.755 -179.171 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -56.0 134.93 67.12 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.644 2.229 . . . . 0.0 111.765 179.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 47.0 t 64.14 12.74 7.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.072 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -105.51 130.12 53.65 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 120.919 0.39 . . . . 0.0 110.863 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.0 t -136.02 150.0 49.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.729 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.4 t -71.21 107.54 4.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.977 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -98.81 140.88 32.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.818 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 78.2 m -107.94 118.49 36.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.661 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.41 ' HB2' ' CB ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -73.06 -10.01 59.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.549 -179.789 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.494 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.67 -160.05 1.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 179.604 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.494 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -57.12 -67.26 0.33 Allowed 'General case' 0 N--CA 1.445 -0.707 0 CA-C-O 120.967 0.413 . . . . 0.0 110.386 179.657 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -154.17 74.07 0.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.762 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.06 -60.83 0.16 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.766 0.317 . . . . 0.0 111.51 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.414 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 82.9 m-85 -85.22 54.23 3.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.012 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 83.3 m -97.33 98.94 10.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.856 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -137.1 165.49 25.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.135 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.5 t -57.15 139.36 52.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.061 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -141.56 123.67 15.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.396 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.12 24.65 1.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.676 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 59.74 110.3 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 121.255 0.55 . . . . 0.0 111.025 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -82.19 52.38 4.63 Favored Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 115.419 -0.809 . . . . 0.0 112.763 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 37.4 p -92.97 78.65 4.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.947 0.403 . . . . 0.0 110.399 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.52 -15.32 26.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.696 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.8 tpp -83.7 -38.35 21.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.784 0.326 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -150.47 68.15 8.38 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.167 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -76.21 158.87 37.32 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.661 2.24 . . . . 0.0 112.353 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 48.0 m -81.8 -116.88 0.02 OUTLIER 'General case' 0 N--CA 1.439 -1.008 0 CA-C-O 121.202 0.525 . . . . 0.0 110.865 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.7 m -81.32 93.93 6.65 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.055 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.91 82.6 1.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.809 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.516 0 CA-C-O 120.828 0.347 . . . . 0.0 111.054 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.652 HG12 ' HA ' ' A' ' 15' ' ' CYS . 1.4 p -95.51 179.33 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.727 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.644 ' H ' HG22 ' A' ' 2' ' ' VAL . 23.7 mtt180 -79.29 -168.12 1.4 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.822 0.344 . . . . 0.0 111.487 -178.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.879 HD12 ' OD2' ' A' ' 17' ' ' ASP . 3.2 tp -68.05 -36.91 80.67 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.471 -179.428 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.46 ' CE1' HD23 ' A' ' 4' ' ' LEU . 0.3 OUTLIER -153.28 69.61 0.83 Allowed 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.243 -179.914 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -140.21 169.11 18.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.505 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.4 t -71.06 138.53 49.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.519 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.473 ' O ' ' C ' ' A' ' 9' ' ' LEU . 28.0 p -108.97 -24.02 11.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.379 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.608 HD12 ' O ' ' A' ' 9' ' ' LEU . 1.5 pp 23.96 91.52 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 122.875 0.47 . . . . 0.0 111.972 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 172.78 -23.91 0.08 OUTLIER Glycine 0 CA--C 1.519 0.287 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.942 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 75.26 -52.71 0.66 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.729 0.265 . . . . 0.0 111.583 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.848 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -87.23 9.25 20.78 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.549 0.203 . . . . 0.0 111.549 -179.799 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.848 HG23 ' OE1' ' A' ' 12' ' ' GLN . 24.0 t -105.76 84.95 1.34 Allowed Pre-proline 0 C--N 1.332 -0.194 0 CA-C-O 120.668 0.27 . . . . 0.0 111.084 179.674 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -70.28 160.12 50.64 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.472 2.115 . . . . 0.0 112.257 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.652 ' HA ' HG12 ' A' ' 2' ' ' VAL . 9.4 t -64.18 141.69 58.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.229 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER -71.74 -6.89 44.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.465 179.666 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.879 ' OD2' HD12 ' A' ' 4' ' ' LEU . 76.7 m-20 -88.69 142.44 30.82 Favored Pre-proline 0 C--O 1.233 0.186 0 CA-C-O 120.835 0.35 . . . . 0.0 111.519 -179.572 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -55.24 133.95 61.02 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.604 2.203 . . . . 0.0 111.88 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 59.0 15.67 4.14 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.409 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -102.33 134.42 45.65 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.85 0.357 . . . . 0.0 110.801 179.551 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.6 t -135.49 149.19 49.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -72.27 145.69 47.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.011 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.408 ' CD2' ' HG3' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -141.6 142.31 33.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.593 179.849 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 27.8 m -103.06 133.15 48.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.18 -9.94 59.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.302 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.491 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.06 -156.35 0.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.746 179.732 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.491 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.04 -68.03 0.24 Allowed 'General case' 0 N--CA 1.446 -0.654 0 CA-C-O 120.936 0.398 . . . . 0.0 110.392 179.508 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -156.03 80.24 0.99 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.722 179.526 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.87 -71.72 0.16 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.753 0.311 . . . . 0.0 111.771 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -83.9 68.57 10.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.045 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.5 m -100.19 111.07 23.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -136.99 167.95 20.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.941 0.401 . . . . 0.0 111.027 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.444 ' HB2' ' CG1' ' A' ' 2' ' ' VAL . 29.3 t -55.39 144.07 26.65 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.601 -179.581 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.408 ' HG3' ' CD2' ' A' ' 23' ' ' TYR . 14.5 ttt180 -135.33 114.88 12.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.362 179.436 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.45 11.79 7.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.839 -179.591 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 60.49 110.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.19 0.519 . . . . 0.0 111.196 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -80.19 55.44 4.59 Favored Glycine 0 N--CA 1.45 -0.384 0 CA-C-N 115.497 -0.774 . . . . 0.0 112.592 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.6 p -89.49 75.31 7.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.94 0.4 . . . . 0.0 110.557 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.64 -18.7 60.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.486 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.2 mtt -84.95 -34.21 22.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.706 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -150.17 65.98 7.63 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.838 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -79.59 167.41 20.87 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.615 2.21 . . . . 0.0 112.202 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 36.4 m -82.3 -119.34 0.02 OUTLIER 'General case' 0 N--CA 1.436 -1.146 0 CA-C-O 121.233 0.54 . . . . 0.0 110.705 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.96 83.27 7.87 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.927 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.5 mtm-85 -154.32 92.65 1.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 35.8 m . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.168 -0.92 . . . . 0.0 110.885 179.98 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.44 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.502 0 CA-C-O 120.741 0.305 . . . . 0.0 110.843 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.53 HG12 ' HB3' ' A' ' 6' ' ' GLU . 2.6 t -94.07 160.75 2.67 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.311 0 CA-C-O 121.031 0.444 . . . . 0.0 111.106 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.63 -169.88 2.36 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.977 -179.589 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.6 tp -68.76 -22.15 64.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.502 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -155.84 71.11 0.73 Allowed 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 120.97 0.414 . . . . 0.0 111.252 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.53 ' HB3' HG12 ' A' ' 2' ' ' VAL . 12.8 tp10 -140.28 156.91 46.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.696 179.703 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.05 150.47 28.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.235 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 9' ' ' LEU . 7.0 p -111.97 -18.59 12.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.208 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.449 HD12 ' O ' ' A' ' 9' ' ' LEU . 1.3 pp 26.74 93.75 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 122.994 0.518 . . . . 0.0 112.289 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 134.33 -22.99 3.69 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.433 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 72.29 -3.07 2.38 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.401 ' CD ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -95.15 20.32 9.31 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.672 0.272 . . . . 0.0 110.965 179.466 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.463 HG12 ' CG2' ' A' ' 2' ' ' VAL . 13.6 t -142.04 87.87 9.55 Favored Pre-proline 0 C--N 1.331 -0.203 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.205 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -73.33 161.07 43.61 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.564 2.176 . . . . 0.0 112.444 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.1 t -64.7 133.73 52.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.309 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.44 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -73.25 -3.76 28.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.479 179.395 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.516 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -92.45 140.03 24.02 Favored Pre-proline 0 C--O 1.234 0.284 0 CA-C-O 120.911 0.386 . . . . 0.0 111.607 -179.405 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -55.62 134.72 65.66 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.62 2.213 . . . . 0.0 111.769 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.7 t 64.2 13.22 7.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.041 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -106.32 131.16 53.87 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-O 120.801 0.334 . . . . 0.0 110.921 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.8 t -136.2 141.79 44.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.942 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.7 t -73.54 109.74 7.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.068 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.469 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 0.4 OUTLIER -108.18 149.26 28.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.61 179.749 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 8.4 m -101.85 140.76 35.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.18 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.89 -10.44 59.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.104 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.498 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.09 -155.06 0.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.751 179.664 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.498 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.3 -66.71 0.39 Allowed 'General case' 0 N--CA 1.444 -0.746 0 CA-C-O 120.947 0.403 . . . . 0.0 110.428 179.551 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 21.9 p-10 -156.39 83.66 0.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.684 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -150.81 -79.91 0.12 Allowed 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.468 ' CD2' ' CE1' ' A' ' 32' ' ' TYR . 1.8 t80 -84.11 76.76 10.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 111.12 -179.544 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 12.3 m -101.29 115.08 29.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.158 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.491 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.6 OUTLIER -136.95 160.31 39.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.812 179.788 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.9 t -53.27 140.42 26.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.097 0.475 . . . . 0.0 111.356 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.469 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 2.9 ttt180 -135.87 127.02 28.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.418 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.24 18.68 2.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.898 -179.598 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 58.94 109.39 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 121.205 0.526 . . . . 0.0 111.276 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.59 56.11 4.46 Favored Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.521 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -89.95 75.49 7.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.934 0.397 . . . . 0.0 110.697 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.98 -17.36 56.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.495 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.1 ttm -84.65 -41.57 16.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.841 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -149.72 73.12 9.68 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.94 158.56 34.56 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.577 2.184 . . . . 0.0 112.363 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 40.0 m -82.21 -117.62 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.093 0 CA-C-O 121.274 0.559 . . . . 0.0 110.93 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.74 88.39 6.28 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.088 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.26 82.63 1.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.738 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.121 -0.942 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 14' ' ' PRO . 1.9 p . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.754 0.312 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.546 ' CG2' HG12 ' A' ' 13' ' ' VAL . 3.3 t -95.86 165.41 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.458 -179.643 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.488 ' H ' HG12 ' A' ' 2' ' ' VAL . 3.7 mtp180 -76.68 -163.09 0.3 Allowed 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.867 -179.463 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.9 tp -67.36 -33.33 75.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.232 -179.471 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -155.25 52.98 0.62 Allowed 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.42 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -105.33 -178.73 3.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.618 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.6 t -96.9 145.24 26.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.443 ' O ' ' C ' ' A' ' 9' ' ' LEU . 26.8 p -110.05 -22.48 11.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.191 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.61 HD12 ' O ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER 25.25 94.81 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.07 -21.31 5.25 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.532 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 70.93 0.99 3.59 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.77 22.89 6.74 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.6 0.238 . . . . 0.0 110.859 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.546 HG12 ' CG2' ' A' ' 2' ' ' VAL . 30.9 t -141.81 92.29 7.93 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.325 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.432 ' O ' ' HB2' ' A' ' 1' ' ' CYS . 37.9 Cg_endo -68.36 155.5 69.0 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.35 2.034 . . . . 0.0 112.313 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.5 t -66.87 142.06 57.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.446 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 66.4 m -72.13 -8.51 55.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.285 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.587 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 9.8 t70 -97.23 132.77 24.93 Favored Pre-proline 0 C--O 1.235 0.297 0 CA-C-O 120.923 0.392 . . . . 0.0 112.021 -178.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -54.87 139.0 78.51 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.539 2.159 . . . . 0.0 111.402 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.1 t 65.8 9.32 5.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.084 -179.327 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -104.59 128.18 52.52 Favored 'General case' 0 N--CA 1.457 -0.08 0 CA-C-O 120.831 0.348 . . . . 0.0 110.563 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.2 t -132.2 146.91 52.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.922 0.391 . . . . 0.0 111.044 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.8 t -73.31 144.71 46.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.273 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.463 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 0.3 OUTLIER -147.81 147.53 29.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.581 179.503 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 17.8 m -101.62 132.47 47.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.102 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.06 -9.63 58.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.351 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.501 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -144.53 -155.0 0.57 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.847 179.645 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.501 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.76 -69.88 0.13 Allowed 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 120.929 0.395 . . . . 0.0 110.359 179.526 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -155.75 79.45 1.0 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.624 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.27 -67.92 0.16 Allowed 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.412 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 2.6 m-85 -84.23 65.04 8.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.833 0.349 . . . . 0.0 111.049 -179.539 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 22.7 m -98.01 107.94 20.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.826 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -136.86 168.82 18.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.095 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.409 ' SG ' ' HB1' ' A' ' 20' ' ' ALA . 4.6 t -62.9 147.13 51.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.219 -179.751 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.463 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 3.3 tmm_? -138.39 119.71 14.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.302 179.415 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.7 mtpp -84.38 17.76 2.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.81 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 60.07 110.74 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 121.21 0.529 . . . . 0.0 111.139 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.27 54.58 4.3 Favored Glycine 0 N--CA 1.45 -0.384 0 CA-C-N 115.437 -0.801 . . . . 0.0 112.649 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.89 76.1 6.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.934 0.397 . . . . 0.0 110.615 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.55 -17.57 55.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.498 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.58 -40.97 16.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.845 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 -150.08 71.35 9.38 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.945 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -81.4 157.92 19.58 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.646 2.231 . . . . 0.0 112.354 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 45.8 m -82.31 -118.1 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.095 0 CA-C-O 121.166 0.508 . . . . 0.0 110.717 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.47 89.09 6.6 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.104 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -155.1 86.24 1.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.921 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.944 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 3.1 p . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.998 0.428 . . . . 0.0 111.267 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.635 ' HB ' HG12 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -102.24 170.83 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.909 179.699 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.535 ' O ' HG13 ' A' ' 2' ' ' VAL . 0.2 OUTLIER -80.03 -179.89 7.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.987 -179.44 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.524 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 15.2 tp -71.84 -54.95 8.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -86.06 47.51 1.47 Allowed 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.404 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -142.3 167.08 22.95 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.054 0.454 . . . . 0.0 111.544 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.502 ' HA ' ' HA ' ' A' ' 32' ' ' TYR . 82.4 p -107.16 170.87 7.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.613 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 9' ' ' LEU . 19.5 p -120.78 -11.36 9.01 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.819 -179.692 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 8' ' ' CYS . 4.9 tp 25.85 84.72 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 133.19 -11.6 5.03 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.654 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.79 15.25 8.9 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.61 0.243 . . . . 0.0 111.432 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.466 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -95.35 -28.92 14.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.776 0.322 . . . . 0.0 111.007 179.643 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.635 HG12 ' HB ' ' A' ' 2' ' ' VAL . 23.5 t -102.81 89.47 1.86 Allowed Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.525 -179.636 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -67.94 157.19 62.89 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.362 2.041 . . . . 0.0 112.386 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.41 ' HA ' HG12 ' A' ' 2' ' ' VAL . 6.5 t -65.7 142.11 58.13 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.37 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 55.0 m -71.92 -8.33 53.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.424 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.507 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 13.4 t70 -88.13 137.23 31.3 Favored Pre-proline 0 C--O 1.234 0.287 0 CA-C-O 120.968 0.414 . . . . 0.0 111.937 -178.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -55.88 135.42 69.55 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.593 2.195 . . . . 0.0 111.66 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.442 ' O ' HD12 ' A' ' 36' ' ' LEU . 49.2 t 64.37 12.81 7.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.123 -179.52 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -104.12 105.42 15.58 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 120.967 0.413 . . . . 0.0 110.86 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 t -107.72 157.47 18.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.621 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.4 t -73.41 104.95 4.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.018 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.426 ' HB3' ' HB2' ' A' ' 34' ' ' ARG . 34.7 t80 -96.3 141.05 30.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.758 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 12.6 m -106.86 136.26 47.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.66 -11.05 60.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.222 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.5 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.75 -155.77 0.64 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.801 179.667 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.5 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.44 -66.04 0.51 Allowed 'General case' 0 N--CA 1.445 -0.695 0 CA-C-O 120.86 0.362 . . . . 0.0 110.484 179.536 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 -156.01 83.54 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.703 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -150.56 -76.69 0.14 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.644 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.414 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -84.47 69.09 10.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.969 0.414 . . . . 0.0 111.134 -179.576 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 38.0 m -97.66 108.98 21.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.502 ' HA ' ' HA ' ' A' ' 7' ' ' SER . 4.5 p90 -137.95 177.38 7.92 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.418 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.524 ' HB3' ' O ' ' A' ' 4' ' ' LEU . 53.8 t -51.23 128.14 21.32 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.603 -179.667 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.426 ' HB2' ' HB3' ' A' ' 23' ' ' TYR . 1.4 tpt180 -141.44 132.18 25.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.41 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -83.6 35.87 0.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.442 HD12 ' O ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER 54.89 107.4 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 121.172 0.51 . . . . 0.0 111.398 179.512 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.25 55.58 1.92 Allowed Glycine 0 N--CA 1.452 -0.275 0 CA-C-N 115.641 -0.708 . . . . 0.0 112.59 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.43 77.77 5.06 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.89 0.376 . . . . 0.0 110.624 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.17 -16.73 47.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.551 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.0 mmt -84.43 -45.98 12.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.867 0.365 . . . . 0.0 110.901 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -150.12 74.59 9.12 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.96 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -84.2 163.0 13.32 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.77 2.314 . . . . 0.0 112.544 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 46.8 m -82.03 -117.44 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.05 0 CA-C-O 121.188 0.518 . . . . 0.0 110.77 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 m -82.03 129.65 34.85 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.067 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.3 tpt85 -154.94 74.03 0.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.87 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.132 -0.937 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.419 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.431 0 CA-C-O 120.657 0.265 . . . . 0.0 110.892 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.64 HG23 HG12 ' A' ' 13' ' ' VAL . 16.6 t -94.16 160.33 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.909 0.385 . . . . 0.0 110.989 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.491 ' N ' HG12 ' A' ' 2' ' ' VAL . 25.3 mtt180 -79.51 -166.93 1.06 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.259 -179.234 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.443 HD11 ' HE2' ' A' ' 35' ' ' LYS . 1.2 tp -69.93 -24.08 63.31 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.374 -179.601 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -156.29 70.9 0.69 Allowed 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.001 0.429 . . . . 0.0 111.008 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -139.13 157.62 45.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.671 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 87.8 p -75.3 153.22 38.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.204 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.736 ' C ' HD23 ' A' ' 9' ' ' LEU . 31.2 p -118.94 0.73 11.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.379 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.736 HD23 ' C ' ' A' ' 8' ' ' CYS . 1.3 pt? 15.57 106.77 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.53 -17.03 34.02 Favored Glycine 0 CA--C 1.519 0.318 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.689 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 67.91 6.98 5.45 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.04 17.47 10.75 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.634 0.254 . . . . 0.0 110.874 179.708 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.64 HG12 HG23 ' A' ' 2' ' ' VAL . 31.4 t -141.6 87.96 9.96 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.065 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -67.9 158.84 55.55 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.469 2.113 . . . . 0.0 112.132 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.0 t -64.16 135.17 56.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.296 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.419 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -71.83 -6.43 41.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.312 179.304 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.411 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.5 OUTLIER -86.03 143.33 37.24 Favored Pre-proline 0 CA--C 1.531 0.231 0 CA-C-O 120.843 0.354 . . . . 0.0 111.291 -179.565 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -54.75 133.33 56.75 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.509 2.14 . . . . 0.0 112.016 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 59.12 16.1 4.56 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.644 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -101.72 133.24 46.75 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 120.879 0.371 . . . . 0.0 110.947 179.578 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.0 t -134.79 141.45 46.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.978 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 45.6 t -73.18 118.11 15.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.045 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.461 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -115.1 155.74 26.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.927 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.4 m -108.89 132.5 53.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.942 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.05 -12.39 60.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.187 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.488 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -146.08 -156.86 0.75 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.888 179.684 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.488 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.61 -66.88 0.37 Allowed 'General case' 0 N--CA 1.446 -0.663 0 CA-C-O 120.857 0.36 . . . . 0.0 110.528 179.576 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -155.09 79.97 1.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.705 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.1 -70.76 0.16 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.487 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -84.51 64.54 8.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.958 0.409 . . . . 0.0 110.961 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 59.8 m -98.42 104.18 16.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.462 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 1.3 p90 -138.3 167.95 20.77 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.967 0.413 . . . . 0.0 111.269 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.5 t -56.15 139.73 46.45 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.492 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.461 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 70.3 ttt180 -139.3 114.54 9.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.293 179.122 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.443 ' HE2' HD11 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -84.46 35.58 0.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.64 -179.452 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 56.88 108.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.198 0.523 . . . . 0.0 111.321 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -72.49 54.74 1.6 Allowed Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.66 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.69 76.23 6.49 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.898 0.38 . . . . 0.0 110.561 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.46 -16.96 52.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.613 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 7.0 ttm -84.36 -41.55 16.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.846 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 62.9 m-20 -150.17 72.5 9.33 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -78.83 169.89 18.85 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.715 2.276 . . . . 0.0 112.245 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 36.9 m -82.59 -119.06 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.088 0 CA-C-O 121.266 0.555 . . . . 0.0 110.687 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.07 113.56 20.69 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.979 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.597 ' O ' HG23 ' A' ' 46' ' ' THR . 50.1 ttt85 -154.93 78.56 1.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.597 HG23 ' O ' ' A' ' 45' ' ' ARG . 3.5 p . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.943 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.437 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.489 0 CA-C-O 120.722 0.296 . . . . 0.0 110.96 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.573 HG21 ' HB3' ' A' ' 8' ' ' CYS . 6.8 t -94.34 161.56 2.56 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.281 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.94 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.479 ' N ' HG12 ' A' ' 2' ' ' VAL . 14.2 mtt180 -79.47 -166.78 1.03 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.029 -179.372 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 tp -69.05 -27.95 66.1 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.225 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -155.64 72.53 0.8 Allowed 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 121.056 0.455 . . . . 0.0 111.042 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -139.29 163.86 31.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.705 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.3 p -80.09 149.31 30.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.772 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.573 ' HB3' HG21 ' A' ' 2' ' ' VAL . 7.4 p -109.35 -24.02 11.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.268 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.482 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.3 OUTLIER 22.54 82.09 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.983 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 164.47 -25.03 0.18 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.742 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 77.34 -38.42 0.29 Allowed 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.8 pm0 -89.22 34.76 0.8 Allowed 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 120.685 0.278 . . . . 0.0 111.346 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.9 t -141.35 82.3 14.61 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.003 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.4 ' O ' ' HB3' ' A' ' 1' ' ' CYS . 57.2 Cg_endo -72.64 162.02 42.42 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.5 2.134 . . . . 0.0 112.328 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.5 t -64.25 137.19 57.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.347 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.437 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.72 -5.46 37.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.542 179.37 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.472 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 47.2 m-20 -90.55 143.42 29.13 Favored Pre-proline 0 C--O 1.233 0.201 0 CA-C-O 121.006 0.431 . . . . 0.0 111.757 -179.345 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -56.41 132.45 51.93 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.612 2.208 . . . . 0.0 111.81 179.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.1 t 62.51 16.32 8.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.066 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -105.69 130.68 53.66 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-O 120.786 0.326 . . . . 0.0 110.946 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.9 t -136.82 144.17 43.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.6 t -72.12 128.67 36.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.026 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.455 ' CE1' ' HG3' ' A' ' 34' ' ' ARG . 0.5 OUTLIER -128.7 146.65 50.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.77 179.783 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 7.5 m -100.11 140.37 34.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.0 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 -72.34 -10.56 59.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.322 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.491 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.31 -155.02 0.57 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.816 179.647 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.491 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.05 -65.91 0.52 Allowed 'General case' 0 N--CA 1.445 -0.725 0 CA-C-O 120.903 0.382 . . . . 0.0 110.577 179.622 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -156.8 84.29 0.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.706 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -149.9 -82.57 0.1 Allowed 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -84.98 80.4 9.3 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.884 0.373 . . . . 0.0 111.291 -179.528 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 9.9 m -102.49 114.66 29.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.065 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.478 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.5 OUTLIER -136.2 163.81 29.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.084 179.895 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.6 t -54.74 141.19 33.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.566 -179.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.455 ' HG3' ' CE1' ' A' ' 23' ' ' TYR . 1.8 tmm_? -139.14 123.52 18.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.304 179.268 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.95 25.37 0.95 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.828 -179.538 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 56.88 108.29 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 121.15 0.5 . . . . 0.0 111.312 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.68 55.66 3.4 Favored Glycine 0 N--CA 1.452 -0.296 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.583 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.9 p -91.0 75.94 6.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.973 0.416 . . . . 0.0 110.645 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.59 -17.31 54.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.482 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 6.3 ttm -84.76 -38.89 19.09 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.929 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -150.56 71.71 9.0 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.077 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.74 155.82 39.63 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.596 2.198 . . . . 0.0 112.414 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 42.1 m -82.45 -117.98 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.082 0 CA-C-O 121.267 0.556 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.06 114.3 20.52 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.036 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 35.5 ttm-85 -155.13 43.96 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.927 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.456 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.463 0 CA-C-O 120.777 0.322 . . . . 0.0 110.898 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.535 HG21 ' HB3' ' A' ' 8' ' ' CYS . 2.8 t -94.14 164.47 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.787 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.451 ' H ' HG12 ' A' ' 2' ' ' VAL . 17.8 mtt180 -78.71 -165.22 0.69 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.055 -179.293 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.0 tp -68.57 -40.95 80.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.032 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -155.63 65.82 0.61 Allowed 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -138.86 169.44 17.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.645 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 67.9 m -61.43 144.82 53.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.773 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.535 ' HB3' HG21 ' A' ' 2' ' ' VAL . 23.9 p -108.82 -23.67 11.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.162 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.446 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.3 OUTLIER 23.42 94.49 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 116.036 -0.529 . . . . 0.0 112.321 179.902 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 163.24 -23.69 0.19 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.775 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 74.03 -54.41 0.68 Allowed 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.598 0.199 . . . . 0.0 111.521 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.851 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -87.59 11.6 14.59 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.594 0.22 . . . . 0.0 111.594 -179.803 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.851 HG23 ' OE1' ' A' ' 12' ' ' GLN . 41.3 t -104.93 86.39 1.49 Allowed Pre-proline 0 C--N 1.332 -0.183 0 CA-C-O 120.715 0.293 . . . . 0.0 111.052 179.598 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -69.42 161.22 46.74 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.469 2.112 . . . . 0.0 112.198 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.7 t -63.64 140.14 58.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.198 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.456 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -71.87 -5.99 38.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.536 179.772 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.516 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.7 OUTLIER -95.67 138.26 21.81 Favored Pre-proline 0 C--O 1.234 0.25 0 CA-C-O 120.915 0.388 . . . . 0.0 111.554 -179.429 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -54.62 135.17 65.82 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.517 2.145 . . . . 0.0 111.864 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 37.0 t 64.15 13.53 7.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.222 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -106.12 133.88 50.13 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-O 120.726 0.298 . . . . 0.0 110.908 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.8 t -136.4 147.0 47.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 46.1 t -70.6 116.79 11.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.95 0.405 . . . . 0.0 111.206 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -108.76 145.71 34.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.572 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 63.4 m -108.9 126.81 53.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.79 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.408 ' HB3' ' NH1' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -72.71 -12.64 61.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.854 0.359 . . . . 0.0 111.514 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.486 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -146.21 -158.53 0.91 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.926 179.656 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.486 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.85 -65.93 0.53 Allowed 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 120.981 0.419 . . . . 0.0 110.549 179.598 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -155.1 78.42 1.03 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.728 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.06 -69.57 0.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.435 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -84.53 62.45 7.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.933 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 83.2 m -98.56 101.22 12.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.831 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -136.46 164.33 28.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.828 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 10.5 t -53.69 145.06 16.31 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.023 0.439 . . . . 0.0 111.251 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.1 ttt85 -139.26 119.64 13.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.343 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.2 mtpp -84.49 12.36 7.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.699 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 61.03 111.44 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 121.134 0.492 . . . . 0.0 111.18 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.29 54.07 3.55 Favored Glycine 0 N--CA 1.451 -0.325 0 CA-C-N 115.44 -0.8 . . . . 0.0 112.762 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 58.5 p -90.76 77.08 6.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.823 0.344 . . . . 0.0 110.569 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.15 -16.34 43.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.626 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.7 ttm -84.08 -36.8 22.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.785 0.326 . . . . 0.0 110.708 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -150.16 67.74 8.45 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.806 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.68 147.37 27.8 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.631 2.221 . . . . 0.0 112.421 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 39.6 m -82.07 -117.22 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.117 0 CA-C-O 121.188 0.518 . . . . 0.0 110.751 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.2 m -81.59 86.01 6.44 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.028 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -154.99 36.98 0.4 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.084 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.6 m . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.281 -0.866 . . . . 0.0 110.859 -179.962 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.405 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.435 0 CA-C-O 120.755 0.312 . . . . 0.0 110.91 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.583 HG23 HG12 ' A' ' 13' ' ' VAL . 14.3 t -93.46 162.76 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.908 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.503 ' N ' HG12 ' A' ' 2' ' ' VAL . 15.5 mtt85 -78.66 -164.72 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.201 -179.115 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.617 HD11 ' HE2' ' A' ' 35' ' ' LYS . 2.2 tp -68.55 -29.04 67.51 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.339 -179.513 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -156.66 75.72 0.86 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.215 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -139.47 162.01 36.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.629 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.1 m -76.47 145.51 39.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.989 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.75 ' C ' HD23 ' A' ' 9' ' ' LEU . 25.4 p -112.35 4.35 17.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.499 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.75 HD23 ' C ' ' A' ' 8' ' ' CYS . 1.2 pt? 15.01 104.36 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.585 0.754 . . . . 0.0 112.994 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.67 -18.11 22.64 Favored Glycine 0 CA--C 1.518 0.26 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.65 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 65.94 11.98 8.08 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.624 0.25 . . . . 0.0 111.418 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.798 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -93.65 -20.41 20.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.705 0.288 . . . . 0.0 110.871 179.636 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.798 HG23 ' OE1' ' A' ' 12' ' ' GLN . 22.8 t -101.34 90.68 1.78 Allowed Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.26 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.411 ' HD3' ' O ' ' A' ' 12' ' ' GLN . 40.0 Cg_endo -67.95 158.59 56.69 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.338 2.025 . . . . 0.0 112.05 179.711 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.444 ' SG ' ' HB1' ' A' ' 20' ' ' ALA . 18.0 t -65.13 134.97 54.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.262 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.405 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.99 -1.4 16.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.806 179.555 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.564 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 23.2 m-20 -96.53 140.73 22.33 Favored Pre-proline 0 C--O 1.234 0.267 0 CA-C-O 120.967 0.413 . . . . 0.0 111.803 -179.22 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -55.74 135.13 67.99 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.643 2.229 . . . . 0.0 111.631 179.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.8 t 63.42 14.23 7.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.811 -179.323 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.564 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -104.05 125.49 50.43 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-O 120.886 0.374 . . . . 0.0 110.961 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.1 t -131.72 148.7 52.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.728 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.1 t -71.4 116.43 11.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.156 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.407 ' HB3' ' HB2' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -116.11 147.1 41.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.447 179.786 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 19.3 m -106.54 133.56 51.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.956 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.41 ' HB2' ' HB2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -72.99 -10.32 59.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.359 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.489 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.37 -156.55 0.71 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.907 179.601 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.489 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.4 -67.64 0.28 Allowed 'General case' 0 N--CA 1.445 -0.686 0 CA-C-O 120.847 0.356 . . . . 0.0 110.355 179.487 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -155.0 81.23 1.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.716 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.31 -73.2 0.16 Allowed 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.41 ' HB2' ' HB2' ' A' ' 25' ' ' ARG . 68.4 m-85 -83.91 67.24 9.52 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.886 0.374 . . . . 0.0 111.054 -179.609 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 56.1 m -97.75 105.03 17.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -135.28 171.83 13.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.156 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.0 t -58.77 139.25 56.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.165 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.407 ' HB2' ' HB3' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -141.37 119.17 11.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.362 179.371 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.617 ' HE2' HD11 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -85.35 23.69 1.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.743 -179.664 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 58.73 109.8 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.157 0.503 . . . . 0.0 111.265 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -80.99 54.86 4.76 Favored Glycine 0 N--CA 1.451 -0.308 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.701 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 31.8 p -92.53 78.24 4.96 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-O 120.964 0.412 . . . . 0.0 110.43 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.56 -14.91 22.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.794 -179.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 18.5 ttm -83.1 -39.12 21.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.833 0.349 . . . . 0.0 110.87 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.5 m-20 -151.85 70.28 7.89 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.203 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -73.42 160.27 44.97 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.546 2.164 . . . . 0.0 112.13 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 48.4 m -81.76 -116.81 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.087 0 CA-C-O 121.181 0.515 . . . . 0.0 110.833 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.4 t -81.09 84.11 6.6 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.045 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.07 101.97 2.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.841 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.466 ' OXT' HG22 ' A' ' 46' ' ' THR . 6.2 m . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.834 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.427 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.445 0 CA-C-O 120.705 0.288 . . . . 0.0 110.994 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.543 ' CG2' HG12 ' A' ' 13' ' ' VAL . 5.0 t -93.55 163.4 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.741 179.719 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.468 ' N ' HG12 ' A' ' 2' ' ' VAL . 40.6 mtt180 -78.54 -165.04 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 -179.187 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.425 HD11 ' HD2' ' A' ' 35' ' ' LYS . 6.1 tp -68.5 -34.94 76.79 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.173 -179.612 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.86 75.33 0.96 Allowed 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.051 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -138.75 165.12 27.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.579 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 52.4 p -75.96 145.21 40.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.98 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 9' ' ' LEU . 31.4 p -108.04 -23.85 11.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.013 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.536 HD12 ' O ' ' A' ' 9' ' ' LEU . 1.4 pp 23.53 94.73 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.12 0.568 . . . . 0.0 112.517 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 146.1 -27.47 1.72 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.466 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 76.48 -23.24 0.25 Allowed 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.468 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -94.6 32.25 1.63 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.735 0.303 . . . . 0.0 111.049 179.609 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.543 HG12 ' CG2' ' A' ' 2' ' ' VAL . 24.8 t -140.53 83.23 15.19 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.977 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.402 ' O ' ' HB3' ' A' ' 1' ' ' CYS . 45.7 Cg_endo -70.85 158.23 56.1 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.452 2.101 . . . . 0.0 112.291 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.7 t -65.29 137.47 57.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.322 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.427 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.31 -6.29 42.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.36 179.422 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.486 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 4.9 m-20 -91.72 141.33 25.55 Favored Pre-proline 0 C--O 1.234 0.24 0 CA-C-O 120.831 0.348 . . . . 0.0 111.696 -179.355 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -56.48 133.43 57.99 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.608 2.206 . . . . 0.0 111.729 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 45.2 t 63.65 14.33 8.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -105.3 132.03 52.0 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-O 120.753 0.311 . . . . 0.0 110.83 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.9 t -139.98 149.9 43.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.984 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 18.9 t -72.09 133.63 45.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.869 0.366 . . . . 0.0 111.029 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.42 ' HB2' ' HD3' ' A' ' 34' ' ' ARG . 50.8 t80 -139.2 147.77 42.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.566 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.432 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 12.9 m -100.67 135.52 41.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.87 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.3 -10.69 60.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.249 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.5 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.87 -154.83 0.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.918 179.524 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.5 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.98 -67.56 0.28 Allowed 'General case' 0 N--CA 1.445 -0.702 0 CA-C-O 120.901 0.382 . . . . 0.0 110.477 179.559 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -155.4 82.79 1.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.699 179.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.65 -75.84 0.14 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.76 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.432 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 1.8 m-85 -84.1 70.03 10.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.147 -179.375 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 28.9 m -97.65 103.52 15.46 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.966 179.749 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 26.7 p90 -136.28 165.75 25.04 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.121 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.5 t -55.0 146.64 17.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.093 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.42 ' HD3' ' HB2' ' A' ' 23' ' ' TYR . 1.4 ptt85 -137.35 129.27 28.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.375 179.469 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.425 ' HD2' HD11 ' A' ' 4' ' ' LEU . 5.0 mtpp -84.37 10.46 10.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.633 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.89 110.26 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 121.235 0.54 . . . . 0.0 111.271 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -86.98 54.7 4.59 Favored Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.506 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -89.42 74.74 7.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.842 0.353 . . . . 0.0 110.782 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.23 -18.33 60.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.367 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.3 tpp -84.96 -40.61 16.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.899 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -149.99 71.84 9.46 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.934 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -82.02 164.62 17.59 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.621 2.214 . . . . 0.0 112.28 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 44.7 m -82.15 -117.74 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.068 0 CA-C-O 121.207 0.527 . . . . 0.0 110.731 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 m -82.05 122.48 27.88 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.06 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 -154.84 82.08 1.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.932 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.406 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.504 0 CA-C-O 120.67 0.272 . . . . 0.0 110.834 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.595 HG23 HG12 ' A' ' 13' ' ' VAL . 5.9 t -94.16 162.69 2.37 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.292 0 CA-C-O 120.877 0.37 . . . . 0.0 111.046 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.475 ' N ' HG12 ' A' ' 2' ' ' VAL . 0.7 OUTLIER -78.04 -163.14 0.39 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.989 -179.388 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.1 tp -66.88 -31.9 72.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.153 -179.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -155.23 81.26 1.06 Allowed 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.219 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -139.13 171.55 14.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.505 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 98.4 p -88.63 149.13 23.69 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.909 0.385 . . . . 0.0 111.205 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 9' ' ' LEU . 26.7 p -119.24 -2.84 10.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.293 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.582 ' N ' HD23 ' A' ' 9' ' ' LEU . 0.2 OUTLIER 24.58 97.26 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.486 ' O ' ' CG ' ' A' ' 11' ' ' GLN . . . 111.86 -5.95 27.52 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.973 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.486 ' CG ' ' O ' ' A' ' 10' ' ' GLY . 3.4 pt20 57.51 18.99 4.91 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.312 0.245 . . . . 0.0 111.461 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' ' 10' ' ' GLY . 0.0 OUTLIER -89.74 -24.84 21.43 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 120.943 0.401 . . . . 0.0 110.643 179.526 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.595 HG12 HG23 ' A' ' 2' ' ' VAL . 21.9 t -101.75 92.36 2.84 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.425 -179.629 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -68.8 158.38 58.06 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.343 2.029 . . . . 0.0 112.18 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.5 t -65.19 133.03 50.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.416 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.406 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.92 -3.89 28.66 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.319 179.296 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.488 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.6 OUTLIER -91.08 141.39 26.39 Favored Pre-proline 0 C--O 1.233 0.231 0 CA-C-O 120.913 0.387 . . . . 0.0 111.615 -179.315 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -55.83 134.26 62.99 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.616 2.21 . . . . 0.0 111.826 179.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.1 t 63.29 14.49 7.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -107.18 130.12 54.76 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-O 120.789 0.328 . . . . 0.0 110.944 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.8 t -136.3 142.71 43.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.798 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.4 t -74.05 125.27 27.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.071 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.471 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 0.3 OUTLIER -131.11 153.29 49.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.705 179.509 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.479 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 6.4 m -99.1 138.68 35.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.139 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.1 -9.15 58.42 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.361 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.533 ' CD2' ' CZ ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -142.99 -157.43 0.77 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.738 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.533 ' CZ ' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.98 -66.56 0.41 Allowed 'General case' 0 N--CA 1.446 -0.674 0 CA-C-O 120.872 0.368 . . . . 0.0 110.378 179.644 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -156.3 83.15 0.99 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.749 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.01 -80.26 0.11 Allowed 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.494 ' CD1' ' CE2' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -84.12 79.44 9.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.855 0.36 . . . . 0.0 111.232 -179.483 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.479 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 7.7 m -102.59 114.39 28.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.062 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.494 ' CE2' ' CD1' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -138.35 166.21 24.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.258 179.852 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.6 t -56.42 141.49 42.01 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.269 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.471 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -138.09 125.57 21.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.268 179.379 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.69 30.73 0.63 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.683 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 54.78 106.24 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 121.07 0.462 . . . . 0.0 111.546 179.577 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.86 57.37 3.08 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.514 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.1 75.89 7.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.913 0.387 . . . . 0.0 110.64 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.46 -17.13 53.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.483 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 48.6 ttm -84.3 -47.4 10.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.832 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 -150.31 78.26 7.88 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.141 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_endo -78.22 165.6 25.57 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.674 2.249 . . . . 0.0 112.242 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 44.8 m -82.24 -117.98 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.095 0 CA-C-O 121.184 0.516 . . . . 0.0 110.844 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 m -82.17 85.11 6.85 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.076 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.83 78.13 1.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.412 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.51 0 CA-C-O 120.77 0.319 . . . . 0.0 110.788 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.76 HG21 ' HB3' ' A' ' 8' ' ' CYS . 15.4 t -93.27 161.11 2.6 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.22 0 CA-C-O 120.931 0.396 . . . . 0.0 110.69 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.497 ' N ' HG12 ' A' ' 2' ' ' VAL . 46.6 mtt180 -78.73 -165.16 0.68 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.119 -179.127 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.537 HD12 ' OD2' ' A' ' 17' ' ' ASP . 3.6 tp -68.9 -29.43 67.7 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.241 -179.7 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 26.8 m80 -154.75 72.46 0.85 Allowed 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.17 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -137.88 164.47 28.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.524 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 36.0 t -84.13 142.39 30.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.887 0.375 . . . . 0.0 111.227 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.76 ' HB3' HG21 ' A' ' 2' ' ' VAL . 16.4 p -110.27 -24.54 10.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.188 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.678 HD12 ' O ' ' A' ' 9' ' ' LEU . 0.6 OUTLIER 26.24 94.2 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.189 0.595 . . . . 0.0 112.366 -179.82 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.19 -27.91 0.89 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.464 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 74.81 -11.87 1.0 Allowed 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.797 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -93.47 -15.94 25.03 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.644 0.259 . . . . 0.0 111.077 179.614 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.797 HG23 ' OE1' ' A' ' 12' ' ' GLN . 32.1 t -104.66 85.37 1.15 Allowed Pre-proline 0 C--N 1.332 -0.186 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.411 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.414 ' HD3' ' O ' ' A' ' 12' ' ' GLN . 58.8 Cg_endo -72.18 164.01 36.95 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.482 2.122 . . . . 0.0 112.151 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.9 t -64.28 137.03 57.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.955 0.407 . . . . 0.0 111.106 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.412 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.17 -5.55 36.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.459 179.684 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.537 ' OD2' HD12 ' A' ' 4' ' ' LEU . 87.3 m-20 -87.61 142.12 32.59 Favored Pre-proline 0 C--O 1.233 0.216 0 CA-C-O 120.865 0.364 . . . . 0.0 111.529 -179.448 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -56.23 133.34 57.45 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.465 2.11 . . . . 0.0 111.613 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.5 t 63.02 15.85 8.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -106.75 128.82 54.55 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.871 0.367 . . . . 0.0 111.166 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.6 t -133.57 156.49 47.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.335 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.84 138.72 50.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.968 0.413 . . . . 0.0 111.166 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -138.79 138.41 37.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.325 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 16.0 m -100.16 134.74 42.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.173 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.57 -10.05 59.32 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.266 179.694 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -144.58 -156.18 0.67 Allowed 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.636 179.682 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -67.99 0.24 Allowed 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 120.979 0.418 . . . . 0.0 110.327 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -156.21 81.69 0.99 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.791 179.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.63 -72.78 0.14 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.77 0.319 . . . . 0.0 111.773 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -83.88 69.74 10.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.906 0.384 . . . . 0.0 111.064 -179.64 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 19.3 m -99.42 110.46 22.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -135.4 175.16 9.84 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 12.6 t -57.13 139.36 52.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.134 0.492 . . . . 0.0 111.453 -179.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.18 112.3 8.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.605 179.265 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.94 30.09 0.53 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -179.11 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 55.97 108.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.316 0.579 . . . . 0.0 111.462 179.616 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.7 47.61 3.83 Favored Glycine 0 N--CA 1.452 -0.25 0 CA-C-N 115.452 -0.795 . . . . 0.0 112.481 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 37.7 p -91.63 77.88 5.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.352 . . . . 0.0 110.537 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.38 -17.59 44.76 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.417 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 13.8 ttm -84.29 -33.87 23.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.813 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -150.02 63.82 6.48 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.849 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -83.55 158.14 14.41 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.788 2.325 . . . . 0.0 112.39 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 48.7 m -82.29 -118.08 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.047 0 CA-C-O 121.269 0.557 . . . . 0.0 110.703 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 p -82.27 117.88 22.71 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.105 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.6 tpp85 -154.98 34.56 0.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.31 -0.852 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.405 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.799 0.333 . . . . 0.0 110.791 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.602 HG23 HG12 ' A' ' 13' ' ' VAL . 12.8 t -93.67 162.24 2.44 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.27 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.84 179.785 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.501 ' N ' HG12 ' A' ' 2' ' ' VAL . 44.4 mtt180 -78.42 -168.38 1.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.042 -179.194 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.573 HD21 ' NZ ' ' A' ' 35' ' ' LYS . 2.5 tp -67.83 -26.03 65.86 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.218 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -156.64 74.63 0.82 Allowed 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.017 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -138.29 165.33 26.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.743 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.8 m -80.14 147.96 31.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.059 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.44 ' O ' ' C ' ' A' ' 9' ' ' LEU . 18.9 p -108.92 -11.36 15.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.366 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.462 HD23 ' O ' ' A' ' 9' ' ' LEU . 2.6 tt 24.56 94.59 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.13 0.572 . . . . 0.0 112.447 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.98 -20.79 7.12 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.553 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 68.14 7.23 5.73 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 111.697 0.258 . . . . 0.0 111.697 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.846 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -94.32 -17.56 22.48 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.613 0.244 . . . . 0.0 110.897 179.585 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.846 HG23 ' OE1' ' A' ' 12' ' ' GLN . 24.1 t -101.92 89.22 1.48 Allowed Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.491 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.423 ' HD3' ' O ' ' A' ' 12' ' ' GLN . 42.0 Cg_endo -68.49 159.0 55.32 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.303 2.002 . . . . 0.0 112.227 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.6 t -64.73 134.98 55.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.295 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.405 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.14 -6.33 41.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.24 179.243 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.474 ' OD2' HD12 ' A' ' 4' ' ' LEU . 4.8 m-20 -85.05 143.35 39.68 Favored Pre-proline 0 C--O 1.233 0.237 0 CA-C-O 120.849 0.357 . . . . 0.0 111.391 -179.598 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -55.09 133.05 55.94 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.612 2.208 . . . . 0.0 111.869 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 57.58 17.35 3.91 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.404 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -102.37 132.58 48.27 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.803 0.335 . . . . 0.0 110.95 179.615 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.3 t -136.15 146.84 47.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.788 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 16.2 t -73.82 137.76 44.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.015 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.476 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -140.87 153.79 45.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.686 179.704 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 13.2 m -102.86 137.16 41.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.088 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.49 -11.42 60.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.175 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.493 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.63 -154.73 0.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.762 179.695 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.493 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.82 -67.42 0.29 Allowed 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 120.848 0.356 . . . . 0.0 110.502 179.64 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -155.95 82.95 1.01 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.754 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.78 -74.99 0.14 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.728 0.299 . . . . 0.0 111.705 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.418 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 3.3 m-85 -84.58 70.64 10.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.091 -179.601 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 24.3 m -99.08 104.53 16.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.422 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -137.89 169.07 18.42 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.003 0.43 . . . . 0.0 111.223 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.5 t -52.98 144.1 15.7 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.873 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.476 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 0.4 OUTLIER -137.78 114.39 10.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.831 179.19 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.573 ' NZ ' HD21 ' A' ' 4' ' ' LEU . 7.4 mtpt -83.93 14.31 4.19 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.811 -179.37 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 mp 61.47 111.2 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 121.162 0.506 . . . . 0.0 111.199 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.1 54.49 4.73 Favored Glycine 0 N--CA 1.45 -0.379 0 CA-C-N 115.391 -0.822 . . . . 0.0 112.652 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 35.4 p -89.54 74.93 7.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.862 0.363 . . . . 0.0 110.493 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.64 -18.47 59.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.406 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -84.7 -32.89 23.3 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.672 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -150.81 67.06 7.72 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.015 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.99 167.57 27.01 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.398 2.066 . . . . 0.0 112.097 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 36.2 m -82.87 -120.35 0.02 OUTLIER 'General case' 0 N--CA 1.434 -1.242 0 CA-C-O 121.281 0.562 . . . . 0.0 110.822 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.35 64.79 8.54 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.124 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.67 107.03 2.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.887 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.456 ' O ' HG22 ' A' ' 46' ' ' THR . 7.1 m . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.873 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.424 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.465 0 CA-C-O 120.784 0.326 . . . . 0.0 110.798 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.548 HG21 ' HB3' ' A' ' 8' ' ' CYS . 8.4 t -94.23 161.64 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.753 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.473 ' N ' HG12 ' A' ' 2' ' ' VAL . 9.9 mmt85 -79.26 -167.25 1.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.098 -179.118 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 tp -69.81 -23.14 63.28 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.628 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -156.06 41.31 0.38 Allowed 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 120.886 0.374 . . . . 0.0 111.397 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.417 ' HB3' ' CG1' ' A' ' 2' ' ' VAL . 4.5 tm-20 -105.37 160.82 14.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.517 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.6 m -81.87 149.18 28.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.94 0.4 . . . . 0.0 111.31 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.548 ' HB3' HG21 ' A' ' 2' ' ' VAL . 23.4 p -111.69 -15.2 13.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.244 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.3 OUTLIER 26.36 95.03 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.67 -20.35 4.89 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.603 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 67.4 8.4 6.25 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.598 0.237 . . . . 0.0 111.562 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.577 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -95.61 -22.62 17.48 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.777 0.322 . . . . 0.0 110.749 179.496 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.577 HG23 ' OE1' ' A' ' 12' ' ' GLN . 38.2 t -101.83 94.59 4.57 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.351 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.414 ' HD3' ' O ' ' A' ' 12' ' ' GLN . 61.3 Cg_endo -74.17 162.24 39.12 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.352 2.035 . . . . 0.0 112.234 179.641 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.9 t -65.28 136.57 56.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.134 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.424 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.84 -3.11 23.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.666 179.633 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.462 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -91.74 144.32 29.24 Favored Pre-proline 0 C--O 1.234 0.242 0 CA-C-O 120.932 0.396 . . . . 0.0 111.514 -179.396 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -56.31 132.0 49.21 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.61 2.206 . . . . 0.0 111.883 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.8 t 62.81 15.9 8.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.046 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -104.34 128.08 52.09 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.855 0.36 . . . . 0.0 110.972 179.741 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.5 t -132.35 153.3 50.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.724 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.4 t -71.35 115.95 11.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.939 0.399 . . . . 0.0 111.305 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -108.93 141.11 41.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.484 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 35.4 m -107.34 132.74 52.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.78 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.68 -11.9 60.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.292 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.498 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -146.14 -157.1 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.966 179.637 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.498 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.59 -65.82 0.55 Allowed 'General case' 0 N--CA 1.446 -0.661 0 CA-C-O 120.949 0.404 . . . . 0.0 110.359 179.608 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -155.45 82.12 1.04 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.722 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.75 -75.17 0.14 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.731 0.3 . . . . 0.0 111.614 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -84.24 68.64 10.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.924 0.393 . . . . 0.0 111.107 -179.61 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 59.0 m -99.34 107.52 19.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -135.49 170.46 15.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.04 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.7 t -56.83 139.43 51.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.079 0.466 . . . . 0.0 111.23 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -140.07 116.87 10.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.211 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.6 21.74 1.45 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.877 -179.55 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 59.57 110.14 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 121.199 0.523 . . . . 0.0 111.16 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.91 54.99 3.86 Favored Glycine 0 N--CA 1.452 -0.253 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.663 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.38 75.21 6.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.92 0.391 . . . . 0.0 110.71 179.766 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.06 -17.78 58.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.471 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.9 -41.24 16.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.943 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -149.83 72.96 9.62 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.963 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -78.29 160.47 29.31 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.643 2.228 . . . . 0.0 112.393 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 40.7 m -82.13 -117.48 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.066 0 CA-C-O 121.207 0.527 . . . . 0.0 110.98 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.6 m -81.7 85.92 6.51 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.103 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.4 ' NH1' ' HB2' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -154.96 88.3 1.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.919 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.948 -179.966 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.868 0.366 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.878 HG21 ' HB3' ' A' ' 8' ' ' CYS . 17.0 t -96.13 162.22 2.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.294 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.522 ' N ' HG12 ' A' ' 2' ' ' VAL . 4.8 mmt85 -76.34 -165.79 0.54 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.826 -179.391 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.5 tp -66.83 -32.48 73.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.488 -179.303 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -155.29 72.85 0.83 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.105 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.426 ' O ' HG11 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -138.74 161.74 36.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.603 179.881 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 97.2 p -75.42 142.32 43.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.848 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.878 ' HB3' HG21 ' A' ' 2' ' ' VAL . 15.6 p -110.29 -25.81 9.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.211 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.8 OUTLIER 25.13 90.98 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.053 -0.521 . . . . 0.0 112.143 -179.848 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.92 -26.26 0.25 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.548 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.433 ' HG2' ' N ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER 77.12 -37.16 0.26 Allowed 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 111.83 0.308 . . . . 0.0 111.83 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.433 ' N ' ' HG2' ' A' ' 11' ' ' GLN . 0.2 OUTLIER -92.57 36.84 1.0 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.8 0.333 . . . . 0.0 111.25 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.425 HG23 ' OE1' ' A' ' 12' ' ' GLN . 28.7 t -140.93 85.22 12.55 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.013 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -69.59 156.74 62.99 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.492 2.128 . . . . 0.0 112.796 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.407 ' HB3' ' O ' ' A' ' 20' ' ' ALA . 53.4 t -64.26 152.93 39.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.185 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.7 m -73.89 1.88 9.73 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.0 -0.546 . . . . 0.0 112.342 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.54 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.5 OUTLIER -111.44 140.66 23.28 Favored Pre-proline 0 C--O 1.234 0.285 0 CA-C-O 121.145 0.498 . . . . 0.0 111.977 -179.006 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -55.36 137.05 76.31 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.616 2.21 . . . . 0.0 111.541 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.9 t 64.88 11.64 7.13 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 -179.458 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.54 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -103.17 114.94 29.63 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.924 0.392 . . . . 0.0 110.887 179.643 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.3 t -115.8 155.56 27.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.0 t -72.36 100.51 2.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.009 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -86.89 131.98 33.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.805 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 56.2 m -99.81 128.73 45.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.24 -9.88 59.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.343 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.489 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -144.6 -156.56 0.71 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.818 179.737 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.489 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.03 -70.11 0.12 Allowed 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 120.935 0.397 . . . . 0.0 110.4 179.503 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -154.93 76.42 1.0 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.67 179.425 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.46 -66.32 0.16 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.639 -179.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -83.82 65.75 8.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.958 0.409 . . . . 0.0 111.122 -179.608 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 27.8 m -101.56 116.75 33.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.076 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -137.04 167.77 20.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.851 179.607 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.5 t -55.71 131.58 46.97 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.924 0.392 . . . . 0.0 110.993 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.56 124.47 17.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.418 179.543 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.47 ' HE3' ' HB2' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -84.88 31.45 0.54 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.719 -179.771 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 57.95 109.24 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 121.162 0.506 . . . . 0.0 111.304 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.11 55.07 2.71 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.552 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.66 77.05 5.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.872 0.367 . . . . 0.0 110.609 179.733 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.21 -16.72 47.94 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.514 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 14.0 ttm -84.25 -45.63 12.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.881 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -150.1 75.37 8.97 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.066 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -80.69 162.4 21.53 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.733 2.289 . . . . 0.0 112.443 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 50.7 m -82.24 -117.84 0.02 OUTLIER 'General case' 0 N--CA 1.436 -1.139 0 CA-C-O 121.228 0.537 . . . . 0.0 110.849 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.7 m -82.07 110.84 17.67 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.187 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.0 ttm-85 -155.14 70.9 0.77 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.773 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.914 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.426 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.485 0 CA-C-O 120.679 0.276 . . . . 0.0 110.824 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.632 HG21 ' HB3' ' A' ' 8' ' ' CYS . 9.4 t -93.49 161.15 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.778 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.48 ' N ' HG12 ' A' ' 2' ' ' VAL . 4.3 mtt180 -79.61 -167.52 1.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.124 -179.325 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.8 tp -69.13 -26.97 65.16 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.142 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -156.1 71.7 0.74 Allowed 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 179.68 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -138.78 162.31 35.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.677 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 62.5 p -78.12 144.77 36.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.895 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.632 ' HB3' HG21 ' A' ' 2' ' ' VAL . 29.3 p -110.64 -20.59 12.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.277 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.449 ' N ' HD23 ' A' ' 9' ' ' LEU . 0.4 OUTLIER 25.26 95.2 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 143.94 -28.26 2.0 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.463 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.13 -7.18 1.56 Allowed 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.897 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -95.22 -12.89 25.51 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-O 120.67 0.272 . . . . 0.0 110.959 179.504 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.897 HG23 ' OE1' ' A' ' 12' ' ' GLN . 23.4 t -103.35 87.16 1.27 Allowed Pre-proline 0 C--O 1.233 0.191 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.373 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.424 ' HD3' ' O ' ' A' ' 12' ' ' GLN . 55.3 Cg_endo -70.29 161.75 44.87 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.446 2.097 . . . . 0.0 112.238 179.781 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.9 t -64.67 135.07 55.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.963 0.411 . . . . 0.0 111.285 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.426 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.85 -4.72 33.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.403 179.393 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.534 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.4 OUTLIER -93.27 138.95 22.89 Favored Pre-proline 0 C--O 1.234 0.252 0 CA-C-O 120.95 0.405 . . . . 0.0 111.69 -179.299 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -55.01 136.26 72.2 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.559 2.173 . . . . 0.0 111.728 179.389 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.5 t 64.19 12.67 7.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 -179.492 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -108.74 132.31 54.09 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-O 120.845 0.355 . . . . 0.0 111.133 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.6 t -138.33 144.13 40.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.445 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.4 t -71.67 147.12 47.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.963 0.411 . . . . 0.0 111.109 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.477 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -156.5 153.76 29.27 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.716 179.717 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 33.5 m -99.55 125.55 45.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.214 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.406 ' HB2' ' HB3' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -73.64 -8.65 56.84 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.495 179.672 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.496 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -144.08 -155.49 0.61 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.926 179.823 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.496 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.59 -71.45 0.09 Allowed 'General case' 0 N--CA 1.445 -0.701 0 CA-C-O 120.955 0.407 . . . . 0.0 110.488 179.639 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.7 p-10 -155.5 74.06 0.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.698 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.99 -58.83 0.14 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.749 0.309 . . . . 0.0 111.696 -179.626 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.43 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 16.4 m-85 -84.52 57.84 4.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.003 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.477 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 25.1 m -96.66 99.38 10.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 16.3 p90 -138.77 175.97 9.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.426 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.3 t -59.88 143.95 50.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.426 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.469 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -138.84 118.97 13.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.973 179.375 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.42 31.85 0.51 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.917 -179.403 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 55.5 107.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.134 0.492 . . . . 0.0 111.465 179.585 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.45 56.76 3.74 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.503 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.52 75.74 6.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.89 0.376 . . . . 0.0 110.636 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.7 -16.99 53.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.443 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 5.9 ttm -84.37 -45.51 12.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.831 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -150.45 76.67 8.32 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.088 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -78.76 165.9 24.13 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.634 2.222 . . . . 0.0 112.391 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 50.3 m -82.19 -117.66 0.02 OUTLIER 'General case' 0 N--CA 1.439 -1.023 0 CA-C-O 121.153 0.501 . . . . 0.0 110.78 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.94 122.05 27.27 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.128 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.568 ' O ' HG23 ' A' ' 46' ' ' THR . 4.4 mmt180 -155.17 84.06 1.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.568 HG23 ' O ' ' A' ' 45' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.165 -0.921 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 2.4 p . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.886 0.374 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.677 HG12 ' HB3' ' A' ' 6' ' ' GLU . 0.9 OUTLIER -100.35 168.53 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.123 -179.91 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.445 ' H ' HG12 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -81.65 -176.88 6.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.494 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.537 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 17.9 tp -72.55 -52.85 13.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.859 0.361 . . . . 0.0 111.134 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -92.99 21.33 5.84 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.247 -0.433 . . . . 0.0 112.039 -179.392 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.677 ' HB3' HG12 ' A' ' 2' ' ' VAL . 21.8 tt0 -108.32 162.87 13.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.175 0.512 . . . . 0.0 111.889 -179.35 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.474 ' O ' HG11 ' A' ' 2' ' ' VAL . 1.6 m -100.71 159.56 15.08 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.632 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.416 ' O ' ' C ' ' A' ' 9' ' ' LEU . 20.5 p -112.16 -23.0 10.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.46 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER 29.44 89.13 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.945 -179.69 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 141.02 -20.71 2.66 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.856 -0.687 . . . . 0.0 112.536 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 70.03 4.52 4.85 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.492 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -98.88 -19.32 17.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.721 0.296 . . . . 0.0 110.952 179.408 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.492 HG23 ' OE1' ' A' ' 12' ' ' GLN . 0.8 OUTLIER -102.92 94.56 5.46 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.299 -179.669 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -73.47 155.47 50.45 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.4 2.067 . . . . 0.0 112.838 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.9 t -66.97 144.55 56.14 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.588 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.8 m -72.88 -10.76 60.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.363 179.459 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.612 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 1.1 m-20 -84.57 134.84 41.6 Favored Pre-proline 0 C--N 1.331 -0.211 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -178.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -56.51 135.24 69.23 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.522 2.148 . . . . 0.0 111.223 179.104 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.576 ' O ' HD12 ' A' ' 36' ' ' LEU . 44.1 t 63.33 15.03 8.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.61 -179.089 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.612 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -104.82 110.22 22.49 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-O 120.867 0.365 . . . . 0.0 110.733 179.724 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 t -112.5 152.31 28.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.61 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.0 t -73.07 121.08 19.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.419 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 10.5 t80 -112.21 139.45 47.74 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.722 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 60.8 m -97.69 118.03 33.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.67 -6.95 49.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.704 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.496 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -143.54 -157.89 0.82 Allowed 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 179.702 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.496 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.2 -70.82 0.1 Allowed 'General case' 0 N--CA 1.445 -0.676 0 CA-C-O 120.958 0.409 . . . . 0.0 110.487 179.683 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -155.39 68.22 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.64 179.544 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -153.27 -50.57 0.1 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.585 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.412 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 7.0 m-85 -85.39 53.7 2.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.821 0.343 . . . . 0.0 111.11 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 29.3 m -97.83 104.73 16.79 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.449 ' HA ' ' HA ' ' A' ' 7' ' ' SER . 4.2 p90 -136.5 174.5 10.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.519 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.537 ' HB3' ' O ' ' A' ' 4' ' ' LEU . 43.2 t -52.61 131.78 34.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.528 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -137.73 137.18 38.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.188 179.028 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -83.6 33.12 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -179.267 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.576 HD12 ' O ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER 51.93 104.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.174 0.511 . . . . 0.0 111.696 179.349 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.63 58.18 2.97 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.447 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -89.31 74.89 7.81 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.896 0.379 . . . . 0.0 110.677 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.71 -17.68 56.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.397 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.4 mmt -84.63 -46.64 11.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.765 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -150.36 78.3 7.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.199 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -78.53 165.47 25.08 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.627 2.218 . . . . 0.0 111.956 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 47.4 m -82.56 -119.46 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.115 0 CA-C-O 121.336 0.589 . . . . 0.0 110.755 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.66 119.18 24.44 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.035 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.19 107.73 2.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.957 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.417 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.504 0 CA-C-O 120.73 0.3 . . . . 0.0 110.916 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.497 HG21 ' HB3' ' A' ' 8' ' ' CYS . 2.8 t -92.96 165.8 1.86 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.266 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.545 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.464 ' H ' HG12 ' A' ' 2' ' ' VAL . 0.2 OUTLIER -78.08 -171.32 2.28 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.058 -179.217 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 27.3 tp -67.77 -35.46 78.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.843 0.354 . . . . 0.0 111.218 -179.405 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.07 66.74 0.72 Allowed 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.142 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -139.48 160.05 40.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.719 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.0 p -62.31 147.67 47.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.803 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.497 ' HB3' HG21 ' A' ' 2' ' ' VAL . 30.0 p -107.6 -25.73 11.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.212 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.732 HD23 ' O ' ' A' ' 9' ' ' LEU . 8.0 tt 22.59 93.47 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.327 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.05 -24.1 0.28 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.649 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 75.32 -47.92 0.61 Allowed 'General case' 0 N--CA 1.464 0.263 0 O-C-N 122.804 -0.233 . . . . 0.0 111.503 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -90.35 36.83 0.89 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.857 0.361 . . . . 0.0 111.125 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.7 t -137.55 83.47 25.3 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.998 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -72.16 161.14 45.46 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.563 2.175 . . . . 0.0 112.457 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.4 t -64.42 138.25 58.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.304 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.417 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.83 -3.93 28.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.649 179.656 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.576 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.7 OUTLIER -97.14 138.03 21.23 Favored Pre-proline 0 C--O 1.234 0.285 0 CA-C-O 120.917 0.389 . . . . 0.0 111.66 -179.245 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -55.1 136.18 72.03 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.602 2.201 . . . . 0.0 111.683 179.392 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.408 ' O ' HD12 ' A' ' 36' ' ' LEU . 46.5 t 63.86 13.35 7.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.827 -179.381 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.576 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -106.85 132.34 52.92 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-O 120.856 0.36 . . . . 0.0 110.898 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.8 t -138.87 145.83 40.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.9 t -72.38 115.29 11.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.073 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.448 ' CD1' ' HG3' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -112.9 149.28 33.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.583 179.802 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 34.7 m -105.43 132.51 51.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.892 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.79 -11.67 60.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.308 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.52 ' CD2' ' CZ ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -145.14 -158.72 0.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 179.697 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.52 ' CZ ' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.6 -65.46 0.61 Allowed 'General case' 0 N--CA 1.444 -0.762 0 CA-C-O 120.837 0.351 . . . . 0.0 110.429 179.607 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -154.38 81.85 1.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.759 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.56 -74.98 0.13 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.698 0.285 . . . . 0.0 111.684 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -83.71 68.27 9.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.998 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 56.5 m -99.06 105.12 17.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.96 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -137.04 164.43 28.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.021 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.406 ' SG ' ' HB1' ' A' ' 20' ' ' ALA . 3.6 t -57.06 144.03 36.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.195 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.448 ' HG3' ' CD1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -138.77 130.11 27.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.317 179.622 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.81 20.31 1.84 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.826 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.408 HD12 ' O ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER 58.44 109.07 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.109 0.481 . . . . 0.0 111.339 179.882 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -84.83 50.69 4.44 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.601 -0.727 . . . . 0.0 112.585 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 62.1 p -91.31 77.0 5.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 0.0 110.576 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.29 -17.37 53.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.488 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 6.7 mtp -84.34 -34.97 23.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.897 0.38 . . . . 0.0 110.774 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -150.3 65.84 7.47 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.95 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -79.97 157.58 23.86 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.751 2.3 . . . . 0.0 112.38 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 50.7 m -81.98 -117.69 0.02 OUTLIER 'General case' 0 N--CA 1.439 -0.996 0 CA-C-O 121.268 0.556 . . . . 0.0 110.802 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.08 111.89 18.63 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.003 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.1 tpp85 -154.92 88.51 1.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.954 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.862 -179.865 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.447 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 120.823 0.344 . . . . 0.0 110.932 . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.86 HG21 ' HB3' ' A' ' 8' ' ' CYS . 13.6 t -95.56 161.74 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.748 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.498 ' N ' HG12 ' A' ' 2' ' ' VAL . 72.9 mtt180 -79.33 -171.88 2.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.113 -179.317 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 tp -67.92 -28.76 67.76 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.346 -179.532 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -155.31 65.41 0.63 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 121.074 0.464 . . . . 0.0 111.176 179.902 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -140.76 156.66 46.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.677 179.73 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.501 ' OG ' HD23 ' A' ' 9' ' ' LEU . 6.2 t -63.54 148.34 49.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.698 179.834 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.86 ' HB3' HG21 ' A' ' 2' ' ' VAL . 29.9 p -109.48 -24.3 11.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.33 -179.742 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.501 HD23 ' OG ' ' A' ' 7' ' ' SER . 0.4 OUTLIER 22.91 91.42 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 122.757 0.423 . . . . 0.0 112.078 -179.866 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.455 ' O ' ' HB2' ' A' ' 11' ' ' GLN . . . 161.52 -19.92 0.19 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.879 -179.82 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.455 ' HB2' ' O ' ' A' ' 10' ' ' GLY . 9.4 mm-40 70.33 -47.14 0.62 Allowed 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -85.41 5.36 31.3 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 -179.628 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.4 t -106.73 83.54 1.28 Allowed Pre-proline 0 C--N 1.331 -0.203 0 CA-C-O 120.758 0.313 . . . . 0.0 111.205 179.94 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -72.17 163.12 39.7 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.474 2.116 . . . . 0.0 112.124 179.783 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.2 t -63.86 140.67 58.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.044 0.45 . . . . 0.0 111.145 -179.91 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.447 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -71.55 -7.49 48.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.358 179.773 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.473 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -85.43 139.95 36.13 Favored Pre-proline 0 CA--C 1.531 0.212 0 CA-C-O 120.842 0.353 . . . . 0.0 111.311 -179.506 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -55.54 132.05 49.82 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.435 2.09 . . . . 0.0 111.9 179.575 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 34.0 t 62.62 16.87 9.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.18 -179.634 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -104.95 136.86 43.65 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.775 0.322 . . . . 0.0 110.945 179.789 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.0 t -136.95 150.77 48.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.929 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 18.8 t -72.38 121.24 19.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.241 -179.838 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -107.64 138.42 43.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.615 179.615 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.6 m -103.69 132.9 49.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.958 -179.829 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.6 -11.34 60.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.253 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.514 ' CD2' ' CZ ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -144.81 -158.69 0.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 179.681 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.514 ' CZ ' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.57 -65.68 0.57 Allowed 'General case' 0 N--CA 1.446 -0.632 0 CA-C-O 120.859 0.362 . . . . 0.0 110.322 179.511 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -155.44 81.47 1.04 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.657 179.566 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.39 -75.12 0.14 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.739 0.304 . . . . 0.0 111.505 -179.707 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -83.74 71.77 10.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.857 0.36 . . . . 0.0 110.941 -179.599 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 38.3 m -102.24 115.21 30.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.126 -179.858 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -137.27 162.77 32.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.54 179.569 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 9.9 t -52.29 139.87 23.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.926 0.393 . . . . 0.0 111.259 -179.848 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.32 127.52 26.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.38 179.625 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.9 mtmt -84.26 12.32 6.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.801 -179.612 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.87 111.74 0.02 OUTLIER 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 121.218 0.532 . . . . 0.0 111.148 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.82 54.02 3.36 Favored Glycine 0 CA--C 1.518 0.219 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.655 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.9 p -91.07 76.88 6.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.86 0.362 . . . . 0.0 110.56 179.827 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.33 -17.28 53.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.453 -179.741 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -83.92 -36.6 23.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.872 0.368 . . . . 0.0 110.866 179.898 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -150.36 67.72 8.3 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -77.77 140.93 18.93 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.611 2.207 . . . . 0.0 112.582 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 37.6 m -82.29 -118.18 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.071 0 CA-C-O 121.179 0.514 . . . . 0.0 110.856 179.909 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.21 78.04 8.93 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.004 -179.85 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -154.85 56.32 0.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.87 -179.863 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.423 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.698 0.285 . . . . 0.0 110.806 . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.568 HG21 ' HB3' ' A' ' 8' ' ' CYS . 9.0 t -92.97 161.89 2.48 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.273 0 CA-C-O 120.85 0.357 . . . . 0.0 110.782 179.84 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.483 ' N ' HG12 ' A' ' 2' ' ' VAL . 57.4 mtt180 -78.82 -167.18 1.04 Allowed 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.102 -179.261 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.678 HD11 ' CE ' ' A' ' 35' ' ' LYS . 8.9 tp -69.58 -27.4 65.08 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.192 -179.803 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -155.5 69.59 0.7 Allowed 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.907 179.821 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -138.47 162.18 35.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.695 179.874 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.0 p -78.85 154.4 29.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 -179.893 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.568 ' HB3' HG21 ' A' ' 2' ' ' VAL . 2.6 p -112.32 -7.81 13.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.343 179.745 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.527 ' N ' HD23 ' A' ' 9' ' ' LEU . 0.3 OUTLIER 24.48 95.21 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -179.994 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 127.67 -24.23 5.23 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.577 179.842 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.55 -5.48 1.98 Allowed 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -179.932 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -94.5 25.47 3.92 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.78 0.324 . . . . 0.0 111.017 179.596 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.474 HG12 HG23 ' A' ' 2' ' ' VAL . 24.5 t -141.31 88.27 10.09 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.25 -179.747 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -68.23 159.82 51.56 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.454 2.103 . . . . 0.0 112.12 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.8 t -63.96 133.67 53.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.268 -179.825 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.423 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.15 -5.69 37.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.215 179.125 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.657 ' OD2' HD12 ' A' ' 4' ' ' LEU . 28.0 m-20 -91.62 136.69 26.3 Favored Pre-proline 0 C--O 1.234 0.282 0 CA-C-O 120.873 0.368 . . . . 0.0 111.502 -179.422 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -54.58 136.13 69.21 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.57 2.18 . . . . 0.0 111.804 179.458 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.5 t 64.71 12.26 7.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.096 -179.438 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -108.96 134.74 51.21 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 120.75 0.309 . . . . 0.0 110.918 179.817 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.6 t -139.71 145.39 38.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.871 0.367 . . . . 0.0 111.078 -179.933 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.1 t -73.8 130.49 40.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.962 179.829 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.463 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 0.5 OUTLIER -132.35 148.79 52.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.78 179.659 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 21.5 m -103.79 132.47 50.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.959 -179.913 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -73.27 -10.44 59.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.346 179.836 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.499 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.6 -155.75 0.64 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.8 179.645 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.499 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.98 -68.44 0.2 Allowed 'General case' 0 N--CA 1.446 -0.659 0 CA-C-O 120.914 0.388 . . . . 0.0 110.308 179.533 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -154.87 81.53 1.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.728 179.584 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.76 -72.68 0.15 Allowed 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 121.0 -0.28 . . . . 0.0 111.71 -179.66 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.411 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -83.95 66.0 8.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.932 0.396 . . . . 0.0 111.049 -179.61 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 39.9 m -97.47 103.94 15.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.684 179.806 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.453 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 1.3 p90 -137.71 163.94 30.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.936 0.398 . . . . 0.0 111.465 -179.717 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.8 t -56.44 145.28 28.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.285 -179.729 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.463 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 2.1 ttt180 -137.4 128.3 27.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.542 179.553 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.678 ' CE ' HD11 ' A' ' 4' ' ' LEU . 2.2 mtpm? -84.43 14.75 4.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.778 -179.729 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.82 110.94 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 121.167 0.508 . . . . 0.0 111.056 179.833 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.87 54.42 3.79 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.712 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 39.5 p -91.38 76.39 5.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.929 0.395 . . . . 0.0 110.621 179.73 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.47 -17.68 55.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.544 -179.793 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.9 mtp -84.34 -35.19 23.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.745 179.956 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 16.8 m-20 -150.04 66.9 8.2 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.86 147.36 30.74 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.56 2.173 . . . . 0.0 112.443 -179.936 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 39.4 m -82.01 -117.41 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.092 0 CA-C-O 121.236 0.541 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.68 97.56 7.97 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.042 -179.791 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -154.66 42.68 0.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.709 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.809 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.9 p . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.702 0.286 . . . . 0.0 111.321 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.567 HG23 HG12 ' A' ' 13' ' ' VAL . 5.6 t -95.54 162.69 2.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 -179.779 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.484 ' N ' HG12 ' A' ' 2' ' ' VAL . 83.3 mtt180 -78.64 -166.42 0.87 Allowed 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.069 -179.588 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.3 tp -69.51 -25.64 64.14 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.615 -179.55 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -155.13 70.42 0.75 Allowed 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 120.892 0.377 . . . . 0.0 111.319 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.458 ' O ' HG11 ' A' ' 2' ' ' VAL . 8.8 tp10 -140.08 158.96 43.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.564 179.576 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.6 152.38 31.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.258 -179.623 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.51 ' HB3' HG21 ' A' ' 2' ' ' VAL . 31.2 p -112.95 -11.62 13.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.366 179.863 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.48 ' N ' HD23 ' A' ' 9' ' ' LEU . 0.2 OUTLIER 27.07 95.73 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.083 0.553 . . . . 0.0 112.384 -179.924 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.461 ' O ' ' CG ' ' A' ' 11' ' ' GLN . . . 120.61 -5.35 11.73 Favored Glycine 0 C--N 1.33 0.22 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.62 -179.931 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.461 ' CG ' ' O ' ' A' ' 10' ' ' GLY . 7.8 pt20 51.7 20.65 1.16 Allowed 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.576 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -100.51 -23.75 14.63 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.859 0.361 . . . . 0.0 110.754 179.304 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.576 HG23 ' OE1' ' A' ' 12' ' ' GLN . 34.8 t -99.77 100.89 12.06 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.553 -179.79 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -75.72 160.81 37.42 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.266 1.977 . . . . 0.0 112.14 179.592 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.3 t -65.29 144.96 56.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.299 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 66.2 m -72.52 -5.18 35.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.854 -179.933 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.54 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.9 OUTLIER -99.13 139.68 21.16 Favored Pre-proline 0 C--O 1.233 0.229 0 CA-C-O 121.105 0.479 . . . . 0.0 111.995 -178.881 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -55.65 137.76 79.06 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.476 2.117 . . . . 0.0 111.515 179.204 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.8 t 65.17 10.26 6.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.052 -179.201 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.54 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -105.48 122.33 45.77 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 120.991 0.424 . . . . 0.0 110.818 179.743 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 t -126.64 161.0 29.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.678 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.3 t -71.81 107.36 4.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.239 -179.614 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -95.42 136.42 35.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.586 179.615 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.8 m -109.97 134.72 51.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.953 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.59 -13.69 61.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.31 179.932 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.5 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -146.68 -156.03 0.68 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.973 179.663 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.5 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.57 -64.93 0.71 Allowed 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 120.929 0.395 . . . . 0.0 110.568 179.652 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -155.68 83.86 1.03 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.644 179.656 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -149.95 -78.0 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.498 -179.765 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -84.73 69.18 10.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.942 0.401 . . . . 0.0 110.926 -179.806 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 66.9 m -98.79 107.39 19.82 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.985 -179.869 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.442 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 1.2 p90 -135.7 166.41 23.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 179.834 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.9 t -53.55 137.69 35.91 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.005 0.431 . . . . 0.0 111.23 -179.695 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -141.32 122.84 15.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.326 179.44 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.99 22.67 1.13 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.791 -179.655 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 58.71 109.26 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.325 0 CA-C-O 121.213 0.53 . . . . 0.0 111.258 179.755 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.48 55.92 4.42 Favored Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 115.527 -0.761 . . . . 0.0 112.633 179.898 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.02 75.86 7.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.881 0.372 . . . . 0.0 110.558 179.885 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.59 -17.52 55.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.332 -179.8 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 32.5 tpp -84.2 -44.75 13.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.825 179.894 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -150.03 75.2 9.07 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.986 -179.939 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -80.53 164.05 21.33 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.654 2.236 . . . . 0.0 112.315 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 48.5 m -82.16 -117.42 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.056 0 CA-C-O 121.218 0.532 . . . . 0.0 110.695 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.6 p -81.78 107.7 14.72 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.993 -179.77 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.94 97.58 1.96 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.415 ' HB3' ' O ' ' A' ' 14' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.474 0 CA-C-O 120.791 0.329 . . . . 0.0 110.841 . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.903 HG21 ' HB3' ' A' ' 8' ' ' CYS . 13.6 t -94.6 161.75 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.0 179.779 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.5 ' N ' HG12 ' A' ' 2' ' ' VAL . 84.2 mtt180 -78.98 -169.23 1.72 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.124 -179.182 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 tp -69.04 -23.24 64.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.547 -179.587 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -156.07 67.94 0.61 Allowed 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 120.972 0.415 . . . . 0.0 111.07 179.846 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.474 ' O ' HG11 ' A' ' 2' ' ' VAL . 0.6 OUTLIER -139.62 159.6 41.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.752 179.863 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 79.5 p -75.83 144.22 41.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.774 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.903 ' HB3' HG21 ' A' ' 2' ' ' VAL . 27.8 p -108.99 -24.31 11.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.225 -179.912 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.503 HD12 ' O ' ' A' ' 9' ' ' LEU . 1.1 pp 23.59 87.09 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.166 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 165.59 -29.12 0.2 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.429 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 78.19 -30.5 0.16 Allowed 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.411 ' O ' ' HD3' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -90.58 -5.56 55.77 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.535 0.207 . . . . 0.0 111.317 179.818 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.6 t -105.82 83.32 1.01 Allowed Pre-proline 0 C--N 1.332 -0.195 0 CA-C-O 120.677 0.275 . . . . 0.0 111.233 -179.926 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.415 ' O ' ' HB3' ' A' ' 1' ' ' CYS . 59.2 Cg_endo -72.66 164.91 34.24 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.455 2.103 . . . . 0.0 112.039 179.866 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.0 t -63.22 137.25 58.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.947 0.404 . . . . 0.0 111.121 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.411 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -71.37 -6.43 40.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.393 179.624 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.447 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.4 OUTLIER -85.09 140.32 36.95 Favored Pre-proline 0 CA--C 1.531 0.249 0 CA-C-O 120.849 0.356 . . . . 0.0 111.234 -179.451 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -54.65 131.96 48.77 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.579 2.186 . . . . 0.0 112.072 179.65 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 23.4 t 63.03 16.35 9.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.351 179.934 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -104.51 136.53 43.89 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.838 0.351 . . . . 0.0 111.016 179.887 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.3 t -135.12 151.12 50.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.84 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.8 t -72.83 119.25 16.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.146 -179.861 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -108.51 137.66 46.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.585 179.588 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 57.8 m -100.11 127.03 46.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.03 -179.825 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.96 -9.62 58.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.507 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.524 ' CD2' ' CZ ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -143.92 -158.45 0.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 179.651 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.524 ' CZ ' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.42 -68.6 0.2 Allowed 'General case' 0 N--CA 1.445 -0.695 0 CA-C-O 120.86 0.362 . . . . 0.0 110.41 179.592 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -155.16 75.48 0.95 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.681 179.57 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -153.09 -63.98 0.15 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.668 -179.799 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -84.3 64.31 8.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.08 -179.73 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 31.9 m -100.66 112.1 24.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 179.907 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -136.07 169.36 17.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.706 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 13.3 t -55.37 138.25 46.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.065 0.459 . . . . 0.0 111.143 -179.83 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -137.0 111.91 8.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.297 179.517 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.46 19.66 1.88 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.874 -179.49 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 60.8 111.53 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 121.212 0.529 . . . . 0.0 111.038 179.879 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.27 53.45 3.1 Favored Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 115.441 -0.8 . . . . 0.0 112.782 -179.942 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.5 p -90.87 76.08 6.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.863 0.364 . . . . 0.0 110.681 179.675 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.28 -18.0 56.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.476 -179.794 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.6 mpp? -84.8 -38.26 19.79 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.801 179.888 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -150.11 78.02 8.13 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.992 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.27 165.04 33.8 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.444 2.096 . . . . 0.0 112.31 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 34.4 m -82.5 -118.89 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.117 0 CA-C-O 121.259 0.552 . . . . 0.0 110.806 -179.939 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.3 m -82.73 80.67 8.76 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.349 -0.842 . . . . 0.0 111.005 -179.789 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 30.9 ttm-85 -154.95 107.26 2.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.983 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.9 m . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.287 -0.863 . . . . 0.0 110.917 -179.916 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.445 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 120.832 0.348 . . . . 0.0 110.834 . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.527 HG21 ' HB3' ' A' ' 8' ' ' CYS . 3.1 t -93.96 164.59 2.06 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.645 179.659 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.447 ' N ' HG12 ' A' ' 2' ' ' VAL . 24.4 mtt180 -78.08 -164.37 0.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.076 -179.226 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.7 tp -68.38 -35.71 78.1 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.333 -179.479 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.84 39.42 0.43 Allowed 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.196 179.825 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -104.77 167.58 9.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.658 179.637 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 28.0 m -68.06 150.04 48.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.782 179.96 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.823 ' C ' HD23 ' A' ' 9' ' ' LEU . 16.8 p -109.13 -23.22 11.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.219 -179.851 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.823 HD23 ' C ' ' A' ' 8' ' ' CYS . 1.6 pt? 17.15 99.13 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.284 0.634 . . . . 0.0 112.569 -179.832 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 154.31 -22.84 0.66 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.631 -179.873 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 74.43 -48.3 0.65 Allowed 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -180.0 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -90.47 36.8 0.89 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.845 0.355 . . . . 0.0 111.16 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.6 t -137.03 84.54 24.82 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.0 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -71.24 162.17 43.36 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.562 2.175 . . . . 0.0 112.397 179.947 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.1 t -63.85 140.28 58.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.402 -179.821 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.445 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.52 -5.77 39.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.523 179.511 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.493 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.8 OUTLIER -95.02 140.37 22.42 Favored Pre-proline 0 C--O 1.234 0.237 0 CA-C-O 120.93 0.395 . . . . 0.0 111.681 -179.27 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -55.62 134.55 64.61 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.614 2.209 . . . . 0.0 111.887 179.505 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.9 t 64.08 13.09 7.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.023 -179.536 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -106.49 134.04 50.25 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.745 0.307 . . . . 0.0 110.889 179.711 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.4 t -140.07 156.02 46.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.6 t -71.77 145.54 48.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.879 0.371 . . . . 0.0 111.006 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.404 ' HB2' ' CD ' ' A' ' 34' ' ' ARG . 57.0 t80 -145.02 134.69 23.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.552 179.933 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 12.6 m -98.83 136.87 38.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.959 -179.865 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.54 -10.73 60.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.208 179.704 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.491 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.4 -154.25 0.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.844 179.591 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.491 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.89 -67.56 0.28 Allowed 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 120.851 0.358 . . . . 0.0 110.42 179.573 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 -156.13 83.5 1.0 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.802 179.63 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.11 -77.55 0.13 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.779 0.289 . . . . 0.0 111.779 -179.745 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.418 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . 14.3 m-85 -83.9 73.06 10.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.805 0.336 . . . . 0.0 111.171 -179.488 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.1 m -100.58 113.94 27.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.36 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.418 ' CE2' ' HB3' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -136.41 166.35 23.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.694 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.3 t -61.28 147.54 44.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.354 -179.794 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.404 ' CD ' ' HB2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -140.55 126.92 19.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.226 179.213 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.87 15.03 4.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.804 -179.499 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.06 110.89 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.325 0 CA-C-O 121.164 0.507 . . . . 0.0 111.022 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -84.42 51.6 4.58 Favored Glycine 0 N--CA 1.451 -0.358 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.684 -179.79 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 29.6 p -91.47 75.92 5.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.816 0.341 . . . . 0.0 110.594 179.771 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.56 -18.76 60.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.415 -179.874 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 10.5 tpp -84.8 -33.22 23.0 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.803 179.927 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -150.11 65.22 7.27 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.927 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -79.02 154.58 25.74 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.651 2.234 . . . . 0.0 112.366 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 41.5 m -81.8 -117.38 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.057 0 CA-C-O 121.282 0.563 . . . . 0.0 110.825 179.937 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 53.1 p -81.78 102.8 11.02 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.129 -179.845 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -155.06 30.86 0.4 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 -179.92 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.447 ' O ' HG22 ' A' ' 46' ' ' THR . 5.3 m . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.985 179.935 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.446 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.467 0 CA-C-O 120.831 0.348 . . . . 0.0 110.88 . . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.499 HG21 ' HB3' ' A' ' 8' ' ' CYS . 2.6 t -94.09 166.61 1.76 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.629 179.699 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.498 ' H ' HG12 ' A' ' 2' ' ' VAL . 54.9 mtt180 -77.71 -162.4 0.31 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.971 -179.326 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.693 HD11 ' HD3' ' A' ' 35' ' ' LYS . 35.4 tp -66.99 -44.15 81.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.67 -179.045 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -156.54 75.54 0.86 Allowed 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 120.777 0.322 . . . . 0.0 111.655 -179.826 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.49 ' HG3' HG12 ' A' ' 2' ' ' VAL . 0.3 OUTLIER -141.69 176.0 9.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.662 179.452 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 25.5 p -70.75 138.33 50.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.66 179.76 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.499 ' HB3' HG21 ' A' ' 2' ' ' VAL . 28.5 p -109.01 -26.67 10.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.36 -179.797 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.463 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.3 OUTLIER 23.83 91.68 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.085 -179.958 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 170.65 -25.25 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.855 -179.836 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 75.42 -50.7 0.64 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.645 0.223 . . . . 0.0 111.542 -179.948 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.37 9.32 20.97 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.592 0.219 . . . . 0.0 111.592 -179.752 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.3 t -106.27 83.72 1.21 Allowed Pre-proline 0 C--N 1.332 -0.186 0 CA-C-O 120.631 0.253 . . . . 0.0 111.09 179.776 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.433 ' O ' ' HB3' ' A' ' 1' ' ' CYS . 46.8 Cg_endo -70.57 158.87 54.63 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.458 2.105 . . . . 0.0 112.295 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.3 t -65.75 138.72 58.13 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.455 -179.927 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.446 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -73.11 -4.68 34.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.497 179.581 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.585 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 9.2 t70 -99.3 133.86 21.7 Favored Pre-proline 0 C--O 1.235 0.321 0 CA-C-O 120.938 0.399 . . . . 0.0 111.869 -178.918 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -54.5 139.16 75.22 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.573 2.182 . . . . 0.0 111.678 179.26 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.441 ' O ' HD12 ' A' ' 36' ' ' LEU . 45.6 t 64.72 9.61 5.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.013 -179.257 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.585 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -107.31 132.01 53.59 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-O 120.834 0.35 . . . . 0.0 110.94 179.721 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 t -138.42 146.61 42.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.987 -179.807 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.6 t -74.45 120.51 20.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.906 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.466 ' CD1' ' HB3' ' A' ' 34' ' ' ARG . 3.5 p90 -116.92 141.56 48.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.546 179.615 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 29.7 m -99.02 130.94 45.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.167 -179.791 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.06 -9.81 59.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.361 179.796 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.506 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -144.32 -154.89 0.56 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.879 179.753 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.506 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.77 -70.37 0.11 Allowed 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 120.928 0.394 . . . . 0.0 110.434 179.497 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -155.97 78.11 0.97 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.631 179.468 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.5 -66.76 0.16 Allowed 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 -179.722 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -84.15 65.65 8.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.944 0.402 . . . . 0.0 111.077 -179.489 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 17.4 m -99.84 114.03 26.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.046 179.924 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.438 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -137.29 159.72 41.1 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.813 179.704 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.533 ' SG ' ' HB1' ' A' ' 20' ' ' ALA . 7.8 t -63.6 142.14 58.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.018 0.437 . . . . 0.0 111.433 -179.713 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.466 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -140.18 134.37 31.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.229 178.972 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.693 ' HD3' HD11 ' A' ' 4' ' ' LEU . 0.6 OUTLIER -85.36 28.02 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.73 -179.566 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.441 HD12 ' O ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER 57.24 108.31 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.17 0.509 . . . . 0.0 111.3 179.973 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.49 55.78 4.42 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.716 -179.85 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 63.2 p -92.04 77.78 5.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.866 0.365 . . . . 0.0 110.404 179.653 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.61 -15.51 28.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.62 -179.763 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 11.7 mtm -83.82 -40.14 19.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.678 179.911 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -150.86 74.39 8.55 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.173 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -74.71 158.58 43.18 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.546 2.164 . . . . 0.0 112.262 179.742 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 55.5 m -81.87 -117.5 0.02 OUTLIER 'General case' 0 N--CA 1.439 -0.994 0 CA-C-O 121.245 0.545 . . . . 0.0 110.808 179.937 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.4 m -81.86 130.55 35.11 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.045 -179.785 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.16 86.91 1.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.806 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.902 -180.0 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.892 0.377 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.661 HG23 HG12 ' A' ' 13' ' ' VAL . 11.4 t -96.54 162.11 2.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.294 -179.888 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.501 ' N ' HG12 ' A' ' 2' ' ' VAL . 8.3 mtt85 -78.25 -164.51 0.55 Allowed 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 -179.528 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.666 HD12 ' OD2' ' A' ' 17' ' ' ASP . 3.1 tp -67.16 -26.83 66.85 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.293 -179.619 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -156.36 75.23 0.86 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.976 179.814 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.434 ' O ' HG11 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -137.58 161.57 36.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.689 179.765 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.3 p -81.68 148.16 29.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.079 -179.867 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.441 ' HB3' HG21 ' A' ' 2' ' ' VAL . 26.5 p -111.91 -13.23 13.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.337 179.914 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER 25.79 94.01 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.074 0.549 . . . . 0.0 112.296 -179.925 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.45 -17.92 7.81 Favored Glycine 0 CA--C 1.518 0.28 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.554 179.938 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 68.6 5.93 5.15 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 -179.806 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.405 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -95.75 20.13 10.27 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.675 0.274 . . . . 0.0 110.952 179.515 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.661 HG12 HG23 ' A' ' 2' ' ' VAL . 24.0 t -142.03 89.64 8.72 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.33 -179.763 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -69.36 159.5 53.48 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.503 2.135 . . . . 0.0 112.284 179.849 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.9 t -64.3 145.31 56.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.105 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.7 m -71.46 -8.4 53.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.554 179.856 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.666 ' OD2' HD12 ' A' ' 4' ' ' LEU . 63.1 m-20 -88.88 141.43 29.72 Favored Pre-proline 0 C--O 1.234 0.285 0 CA-C-O 121.061 0.458 . . . . 0.0 111.636 -179.194 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -55.39 136.71 74.92 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.583 2.189 . . . . 0.0 111.694 179.519 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER 61.05 12.57 4.06 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.609 -179.775 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -103.92 133.04 49.56 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-O 120.875 0.369 . . . . 0.0 110.895 179.622 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.1 t -134.13 156.14 48.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.811 -179.875 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 10.6 t -72.23 123.12 22.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 179.961 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -119.33 149.07 42.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.615 179.816 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.0 m -107.63 132.88 52.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.981 -179.834 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.46 -9.9 59.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.337 179.714 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -143.85 -158.11 0.85 Allowed 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.738 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -55.89 -67.67 0.27 Allowed 'General case' 0 N--CA 1.446 -0.669 0 CA-C-O 120.905 0.383 . . . . 0.0 110.422 179.527 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.1 p-10 -155.76 80.18 1.01 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.694 179.427 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.01 -71.38 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.974 -0.291 . . . . 0.0 111.644 -179.731 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.19 66.73 9.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.893 -179.718 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 47.4 m -98.3 107.1 19.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -137.0 173.82 11.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.154 179.828 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -54.78 136.58 46.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.259 -179.839 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.32 116.55 11.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.37 179.32 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.425 ' HG2' ' HB2' ' A' ' 20' ' ' ALA . 19.3 mtpt -84.64 23.84 1.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.731 -179.521 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 59.57 110.49 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 121.27 0.557 . . . . 0.0 111.251 179.817 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -78.74 54.65 4.14 Favored Glycine 0 N--CA 1.451 -0.301 0 CA-C-N 115.399 -0.819 . . . . 0.0 112.602 -179.87 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 62.3 p -91.18 76.99 6.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 110.452 179.85 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.15 -17.02 50.72 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.534 -179.815 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 15.2 ttm -84.28 -35.55 23.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.778 179.845 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -150.38 66.97 7.99 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -77.68 162.81 29.76 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.521 2.147 . . . . 0.0 112.335 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 38.0 m -82.3 -118.48 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.103 0 CA-C-O 121.216 0.531 . . . . 0.0 110.718 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.45 86.7 6.71 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.079 -179.895 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 20.3 ttt85 -155.03 40.97 0.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.972 -179.953 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.299 -0.858 . . . . 0.0 110.911 179.94 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.421 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.445 0 CA-C-O 120.88 0.371 . . . . 0.0 110.917 . . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.501 HG12 ' H ' ' A' ' 3' ' ' ARG . 2.1 t -96.5 166.29 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.856 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.501 ' H ' HG12 ' A' ' 2' ' ' VAL . 3.1 mtt85 -79.42 -164.59 0.65 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.866 -179.708 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 tp -68.89 -31.52 70.51 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.148 -179.686 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 26.5 m80 -155.46 71.42 0.77 Allowed 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.215 179.882 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.473 ' O ' HG11 ' A' ' 2' ' ' VAL . 32.8 tp10 -140.22 160.19 40.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.924 179.906 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.2 t -77.14 151.62 35.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.744 179.749 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.515 ' O ' ' CB ' ' A' ' 9' ' ' LEU . 2.7 p -110.36 -42.87 4.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.009 -179.957 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.515 ' CB ' ' O ' ' A' ' 8' ' ' CYS . 12.0 tp 92.67 116.94 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.762 179.873 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 61.55 17.47 53.66 Favored Glycine 0 CA--C 1.517 0.171 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.897 179.892 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 47.01 28.01 0.82 Allowed 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 179.885 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -90.62 7.8 37.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.314 179.79 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.6 t -142.97 99.55 5.51 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.166 -179.963 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.407 ' O ' ' HB3' ' A' ' 1' ' ' CYS . 40.1 Cg_endo -67.78 160.49 48.07 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.246 1.964 . . . . 0.0 112.033 179.813 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.4 t -63.88 137.73 58.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.3 -179.82 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.421 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.03 -6.71 44.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.378 179.417 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.477 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.9 OUTLIER -87.92 142.75 32.48 Favored Pre-proline 0 C--O 1.233 0.234 0 CA-C-O 120.899 0.38 . . . . 0.0 111.619 -179.321 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -55.68 133.66 59.4 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.605 2.203 . . . . 0.0 111.926 179.525 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.2 t 63.1 14.57 7.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.182 -179.434 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -108.26 133.64 52.21 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.865 0.364 . . . . 0.0 110.975 179.773 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.1 t -136.98 148.17 46.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.755 -179.941 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -73.06 113.59 10.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.924 179.948 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.49 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -113.52 152.47 30.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.848 179.791 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 18.2 m -105.82 137.58 43.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.124 -179.873 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.89 -11.35 60.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.358 179.78 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.496 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.81 -155.78 0.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.823 179.654 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.496 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.42 -66.08 0.5 Allowed 'General case' 0 N--CA 1.445 -0.715 0 CA-C-O 121.008 0.432 . . . . 0.0 110.395 179.535 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -156.18 83.02 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.704 179.691 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.66 -77.26 0.13 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.698 0.285 . . . . 0.0 111.671 -179.744 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -84.05 72.07 10.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.066 -179.596 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 35.1 m -99.34 107.4 19.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.057 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.475 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.9 OUTLIER -136.72 171.85 13.88 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.21 179.885 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.2 t -55.54 139.33 44.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.653 -179.562 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.49 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -137.42 112.82 9.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.128 179.322 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.69 19.36 1.67 Allowed 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -179.339 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 59.91 110.89 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 121.234 0.54 . . . . 0.0 111.281 179.699 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -84.67 51.36 4.55 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.433 -0.803 . . . . 0.0 112.607 -179.935 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.4 p -91.21 76.43 6.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.855 0.36 . . . . 0.0 110.651 179.828 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.63 -17.52 55.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.552 -179.757 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.4 ttm -84.59 -35.91 22.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.73 179.85 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -150.16 66.31 7.81 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 179.924 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -81.41 157.24 19.42 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.728 2.285 . . . . 0.0 112.506 -179.926 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 45.6 m -81.76 -116.77 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.062 0 CA-C-O 121.213 0.53 . . . . 0.0 110.799 179.903 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.1 p -81.15 93.07 6.38 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.005 -179.948 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.86 86.5 1.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.854 -179.945 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.285 -0.864 . . . . 0.0 110.888 -179.962 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 14' ' ' PRO . 1.9 p . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.74 0.305 . . . . 0.0 111.245 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.484 HG12 ' H ' ' A' ' 3' ' ' ARG . 2.1 t -96.13 165.85 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.056 0.455 . . . . 0.0 111.416 -179.624 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.484 ' H ' HG12 ' A' ' 2' ' ' VAL . 13.5 mtt180 -78.14 -168.12 1.21 Allowed 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.855 -179.619 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.6 tp -68.74 -34.58 75.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.768 0.318 . . . . 0.0 111.347 -179.497 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.92 71.63 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.164 179.937 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -140.37 164.66 29.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.766 179.793 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.6 t -82.5 143.29 31.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.702 179.846 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.417 ' HB3' ' CG2' ' A' ' 2' ' ' VAL . 20.9 p -117.48 -30.15 5.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.496 -179.653 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.613 HD12 ' O ' ' A' ' 9' ' ' LEU . 1.2 pp 29.33 41.29 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.99 -179.464 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 8' ' ' CYS . . . -126.41 -11.88 3.61 Favored Glycine 0 CA--C 1.52 0.367 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.925 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 71.41 -58.08 0.59 Allowed 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 179.735 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.727 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -88.34 14.12 10.23 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -179.27 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.727 HG23 ' OE1' ' A' ' 12' ' ' GLN . 38.5 t -105.49 86.46 1.75 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 120.614 0.245 . . . . 0.0 111.189 179.604 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.401 ' O ' ' HB2' ' A' ' 1' ' ' CYS . 43.2 Cg_endo -69.65 157.51 60.35 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.379 2.053 . . . . 0.0 112.521 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.7 t -65.51 145.44 56.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.358 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.2 m -72.32 -6.33 42.46 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.777 179.838 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.501 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -98.95 142.18 24.16 Favored Pre-proline 0 C--O 1.233 0.232 0 CA-C-O 121.087 0.47 . . . . 0.0 112.003 -178.916 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_endo -56.81 135.93 73.49 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.53 2.153 . . . . 0.0 111.579 179.388 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.4 t 64.55 10.93 6.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 -179.339 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -104.16 131.0 51.9 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 120.781 0.324 . . . . 0.0 110.656 179.485 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.9 t -135.25 148.89 49.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.766 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.14 120.11 17.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.968 179.943 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -122.22 152.7 39.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.882 179.868 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 39.2 m -110.26 131.01 55.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.217 -179.734 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.5 ttp180 -73.96 -12.14 60.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.33 179.622 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.511 ' CD2' ' CZ ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -144.82 -158.73 0.92 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.754 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.511 ' CZ ' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.82 -66.44 0.45 Allowed 'General case' 0 N--CA 1.445 -0.708 0 CA-C-O 121.054 0.454 . . . . 0.0 110.489 179.675 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -154.68 78.91 1.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.734 179.693 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.61 -66.68 0.16 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.811 0.339 . . . . 0.0 111.302 -179.916 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.425 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 7.0 m-85 -84.65 59.13 5.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.741 -179.915 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 65.0 m -96.82 101.28 12.85 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.246 -179.62 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -139.77 171.71 13.83 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.925 179.474 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.1 t -57.33 145.09 33.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.119 0.485 . . . . 0.0 111.521 -179.574 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.414 ' HD3' ' HA ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -136.43 113.59 10.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.178 179.509 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.92 6.63 15.25 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -179.039 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.414 ' HA ' ' HD3' ' A' ' 34' ' ' ARG . 0.4 OUTLIER 61.21 111.1 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.295 0.569 . . . . 0.0 111.226 179.775 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -92.67 51.52 2.64 Favored Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 115.285 -0.871 . . . . 0.0 112.535 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.9 p -91.66 77.75 5.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.857 0.36 . . . . 0.0 110.512 179.729 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.41 -17.47 44.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.574 -179.725 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.5 ttm -84.04 -30.76 25.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.885 0.374 . . . . 0.0 110.639 179.785 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -150.31 61.39 4.8 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.831 179.919 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_endo -78.52 154.49 27.56 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.645 2.23 . . . . 0.0 112.325 -179.954 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 44.0 m -81.56 -116.35 0.02 OUTLIER 'General case' 0 N--CA 1.439 -1.013 0 CA-C-O 121.129 0.49 . . . . 0.0 110.96 179.929 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 m -80.69 139.99 35.87 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.987 -179.757 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -154.56 67.79 0.71 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.75 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.134 -0.936 . . . . 0.0 111.002 179.98 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.4 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 120.836 0.351 . . . . 0.0 111.053 . . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.723 HG22 ' HB3' ' A' ' 6' ' ' GLU . 0.3 OUTLIER -95.27 -175.31 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.587 179.661 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.564 ' N ' HG13 ' A' ' 2' ' ' VAL . 29.2 mtt180 -81.08 -165.43 0.92 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.911 0.386 . . . . 0.0 111.439 -179.07 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.8 tp -70.1 -28.84 65.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.279 -179.572 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -154.74 44.83 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.219 -179.931 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.723 ' HB3' HG22 ' A' ' 2' ' ' VAL . 5.9 tt0 -104.98 162.61 13.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.637 179.546 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.3 m -82.72 149.63 27.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.087 -179.797 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 9' ' ' LEU . 6.8 p -112.0 -12.46 13.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.341 179.911 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.487 ' N ' HD23 ' A' ' 9' ' ' LEU . 0.3 OUTLIER 26.45 93.91 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 179.998 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 125.02 -17.23 7.16 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.458 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.422 ' NE2' ' SG ' ' A' ' 24' ' ' CYS . 2.8 mt-30 68.79 7.03 5.89 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.787 0.292 . . . . 0.0 111.787 179.93 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.479 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -94.93 17.49 13.71 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.697 0.284 . . . . 0.0 111.042 179.49 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.479 HG23 ' OE1' ' A' ' 12' ' ' GLN . 39.2 t -142.28 87.01 9.74 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.215 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -68.63 159.61 52.9 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.466 2.111 . . . . 0.0 112.105 179.802 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.561 ' HA ' HG12 ' A' ' 2' ' ' VAL . 13.0 t -64.43 133.81 53.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.296 -179.832 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER -73.3 -1.67 18.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.587 179.443 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.5 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 10.7 m-20 -93.68 142.37 25.03 Favored Pre-proline 0 CA--C 1.53 0.207 0 CA-C-O 120.936 0.398 . . . . 0.0 111.579 -179.454 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -55.5 133.46 58.22 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.587 2.191 . . . . 0.0 111.847 179.627 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 35.0 t 62.89 15.28 8.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 -179.547 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -105.56 132.11 52.12 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 120.705 0.288 . . . . 0.0 110.777 179.735 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.5 t -135.83 143.13 44.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.936 0.398 . . . . 0.0 111.033 -179.819 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.8 t -73.44 111.69 8.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.02 179.868 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.459 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -115.87 156.02 26.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.727 179.847 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 13.0 m -104.29 138.13 41.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.081 -179.715 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.07 -10.49 59.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.293 179.73 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.489 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.24 -155.0 0.57 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.725 179.678 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.489 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.85 -68.54 0.19 Allowed 'General case' 0 N--CA 1.447 -0.601 0 CA-C-O 120.888 0.375 . . . . 0.0 110.36 179.536 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -155.97 81.48 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.673 179.58 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.01 -73.19 0.15 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.738 0.304 . . . . 0.0 111.689 -179.728 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.421 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.4 OUTLIER -83.93 70.5 10.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.973 -179.601 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 23.3 m -99.48 108.62 21.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.272 -179.911 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -138.43 164.6 28.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.682 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -53.46 140.4 28.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.296 -179.666 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.459 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 2.5 tmm_? -140.47 120.81 13.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.47 179.277 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -84.81 25.62 0.91 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.542 -179.829 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 60.46 111.38 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 121.191 0.52 . . . . 0.0 111.052 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -78.86 51.33 3.78 Favored Glycine 0 N--CA 1.453 -0.198 0 CA-C-N 115.385 -0.825 . . . . 0.0 112.884 -179.851 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.749 HG23 ' HA ' ' A' ' 42' ' ' PRO . 0.8 OUTLIER -93.76 78.53 4.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.936 0.398 . . . . 0.0 110.417 179.566 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.01 -15.17 28.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.767 -179.678 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -83.65 -37.35 22.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.85 0.357 . . . . 0.0 110.844 179.88 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 -150.34 67.0 8.04 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.987 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.749 ' HA ' HG23 ' A' ' 38' ' ' THR . 74.5 Cg_endo -75.25 151.47 38.44 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.668 2.245 . . . . 0.0 112.479 -179.866 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 37.8 m -82.46 -118.71 0.02 OUTLIER 'General case' 0 N--CA 1.436 -1.134 0 CA-C-O 121.295 0.569 . . . . 0.0 110.837 179.888 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.63 91.03 6.89 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.027 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.86 87.56 1.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.236 -0.887 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.424 ' HB3' ' O ' ' A' ' 14' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.505 0 CA-C-O 120.901 0.381 . . . . 0.0 110.911 . . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.787 HG23 HG12 ' A' ' 13' ' ' VAL . 24.4 t -96.73 158.25 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.028 179.684 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.475 ' N ' HG12 ' A' ' 2' ' ' VAL . 29.0 mtp180 -80.33 -175.94 5.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.071 -179.498 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.489 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 13.5 tp -71.93 -63.13 1.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.043 -179.958 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.7 m80 -85.35 48.48 1.58 Allowed 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.305 -179.789 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -142.1 161.44 37.99 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.16 0.505 . . . . 0.0 111.7 -179.709 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.498 ' HA ' ' HA ' ' A' ' 32' ' ' TYR . 0.8 OUTLIER -99.09 159.51 14.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.187 179.32 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.508 ' CB ' HG21 ' A' ' 2' ' ' VAL . 10.8 p -111.58 -34.44 6.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.691 0.282 . . . . 0.0 111.251 -179.848 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.432 HD23 ' HB3' ' A' ' 7' ' ' SER . 0.7 OUTLIER 27.38 41.96 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.178 -179.742 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 8' ' ' CYS . . . -136.23 -7.74 1.68 Allowed Glycine 0 CA--C 1.521 0.411 0 C-N-CA 120.667 -0.777 . . . . 0.0 113.298 -179.649 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 70.35 -58.73 0.54 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 117.031 0.415 . . . . 0.0 111.48 -179.967 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -91.24 36.02 0.93 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.274 -179.752 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.787 HG12 HG23 ' A' ' 2' ' ' VAL . 20.4 t -140.52 79.05 20.85 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.875 0.369 . . . . 0.0 111.121 179.816 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.424 ' O ' ' HB3' ' A' ' 1' ' ' CYS . 66.5 Cg_endo -75.93 164.21 32.03 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.489 2.126 . . . . 0.0 112.229 179.934 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 t -63.91 138.69 58.58 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.013 0.435 . . . . 0.0 111.111 -179.925 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.46 -7.49 47.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.277 179.433 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.567 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 27.2 t70 -80.57 135.54 52.93 Favored Pre-proline 0 CA--C 1.532 0.253 0 CA-C-O 120.852 0.358 . . . . 0.0 111.45 -179.487 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -53.22 134.93 58.52 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.602 2.201 . . . . 0.0 111.801 179.646 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.453 ' O ' HD12 ' A' ' 36' ' ' LEU . 49.1 t 61.25 18.45 9.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.74 -179.593 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.567 ' HB3' ' HB3' ' A' ' 17' ' ' ASP . . . -123.78 118.87 28.16 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-O 120.921 0.391 . . . . 0.0 111.316 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.432 HG23 ' NE ' ' A' ' 34' ' ' ARG . 9.9 t -126.02 169.08 13.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.141 179.621 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.8 t -70.83 142.73 51.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.022 0.439 . . . . 0.0 111.182 -179.769 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.433 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 47.8 t80 -139.07 138.22 36.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.59 179.906 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.424 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 15.1 m -105.87 133.52 50.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.725 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.62 -10.78 60.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.312 179.792 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.491 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.94 -155.5 0.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.851 179.601 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.491 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.13 -66.43 0.43 Allowed 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 120.88 0.371 . . . . 0.0 110.491 179.628 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -155.97 83.26 1.01 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.729 179.58 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.2 -74.65 0.15 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.692 -179.77 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.424 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.2 OUTLIER -84.1 66.28 9.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.939 0.4 . . . . 0.0 111.057 -179.582 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.433 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 40.9 m -96.68 104.24 16.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 179.871 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.498 ' HA ' ' HA ' ' A' ' 7' ' ' SER . 3.7 p90 -137.47 -179.99 6.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.901 0.381 . . . . 0.0 111.526 -179.897 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.489 ' HB3' ' O ' ' A' ' 4' ' ' LEU . 45.4 t -52.01 136.47 29.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.756 -179.609 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.432 ' NE ' HG23 ' A' ' 21' ' ' THR . 0.0 OUTLIER -139.82 125.08 18.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.037 179.682 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.8 mtmt -84.72 40.81 0.82 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.736 -179.53 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.453 HD12 ' O ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER 49.98 103.62 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.263 0.554 . . . . 0.0 111.812 179.644 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -80.12 57.42 4.62 Favored Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.436 179.662 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -91.15 76.89 6.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.838 0.352 . . . . 0.0 110.7 179.962 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.41 -17.46 54.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.381 -179.827 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.6 mmt -84.42 -46.51 11.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.838 179.876 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -150.35 75.26 8.79 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -85.01 167.93 10.78 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.784 2.323 . . . . 0.0 112.429 -179.931 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 43.2 m -81.6 -117.94 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.052 0 CA-C-O 121.237 0.541 . . . . 0.0 110.653 179.872 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.6 t -81.71 102.12 10.53 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.047 -179.907 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.93 85.64 1.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.796 -179.92 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 23.2 m . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.852 -179.934 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 14' ' ' PRO . 2.1 p . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.898 0.38 . . . . 0.0 111.274 . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.658 HG21 ' HB3' ' A' ' 8' ' ' CYS . 3.5 t -96.82 162.41 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.132 -179.939 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.452 ' N ' HG12 ' A' ' 2' ' ' VAL . 0.4 OUTLIER -79.61 -168.26 1.51 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.904 -179.598 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.9 tp -69.1 -23.56 64.02 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.359 -179.739 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -155.47 66.72 0.63 Allowed 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 120.966 0.413 . . . . 0.0 111.057 179.92 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.583 ' O ' HG11 ' A' ' 2' ' ' VAL . 18.4 tp10 -139.36 160.55 39.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.665 179.798 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.4 ' HA ' ' HA ' ' A' ' 32' ' ' TYR . 20.8 p -76.08 151.81 36.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.127 -179.804 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.658 ' HB3' HG21 ' A' ' 2' ' ' VAL . 20.1 p -111.03 -11.71 14.28 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.244 179.808 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 8' ' ' CYS . 7.0 tp 25.19 96.04 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.16 0.584 . . . . 0.0 112.575 -179.909 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 127.92 -24.04 5.19 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.489 179.8 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.415 ' NE2' ' SG ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER 69.54 3.33 4.15 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -179.865 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.635 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -95.51 -17.51 21.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.754 0.311 . . . . 0.0 110.934 179.502 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.635 HG23 ' OE1' ' A' ' 12' ' ' GLN . 39.8 t -100.0 96.59 5.03 Favored Pre-proline 0 C--N 1.332 -0.19 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.191 -179.719 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.4 ' O ' ' HB2' ' A' ' 1' ' ' CYS . 55.9 Cg_endo -70.93 161.28 46.64 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.41 2.073 . . . . 0.0 112.151 179.751 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.0 t -65.0 146.19 55.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.269 179.986 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 93.2 m -71.89 -8.59 55.31 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.581 179.832 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.493 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 1.5 t70 -93.7 138.45 22.85 Favored Pre-proline 0 C--O 1.234 0.254 0 CA-C-O 121.017 0.437 . . . . 0.0 111.814 -178.96 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -55.55 136.28 73.26 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.55 2.166 . . . . 0.0 111.677 179.234 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 46.6 t 65.54 10.84 6.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.263 -179.409 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -105.79 130.2 53.82 Favored 'General case' 0 N--CA 1.457 -0.084 0 CA-C-O 120.843 0.354 . . . . 0.0 110.69 179.621 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.6 t -133.27 162.66 31.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.687 -179.856 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.5 t -70.75 146.59 49.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.959 0.409 . . . . 0.0 111.187 -179.785 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.432 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 10.6 t80 -144.21 133.98 23.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.505 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.415 ' SG ' ' NE2' ' A' ' 11' ' ' GLN . 34.8 m -99.87 128.59 45.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.958 -179.891 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.401 ' HB2' ' CB ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -72.83 -10.58 59.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.358 179.779 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.494 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -146.13 -154.57 0.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.93 179.7 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.494 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.81 -69.64 0.14 Allowed 'General case' 0 N--CA 1.445 -0.702 0 CA-C-O 120.889 0.376 . . . . 0.0 110.429 179.658 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -155.02 79.33 1.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.783 179.544 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -153.36 -66.21 0.15 Allowed 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.725 -179.704 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.406 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 3.7 m-85 -83.43 59.7 5.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.833 0.349 . . . . 0.0 111.098 -179.618 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.432 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 32.7 m -96.67 104.63 16.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.906 179.892 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.4 ' HA ' ' HA ' ' A' ' 7' ' ' SER . 7.2 p90 -136.06 175.91 9.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.445 -179.908 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.3 t -58.5 142.49 48.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.303 -179.68 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.412 ' HD3' ' HB2' ' A' ' 23' ' ' TYR . 3.6 ttp180 -140.13 118.03 11.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.134 179.433 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.55 20.08 1.81 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.822 -179.409 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 60.57 111.12 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 121.161 0.505 . . . . 0.0 111.037 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.26 53.89 3.52 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.906 -179.91 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.76 75.32 6.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.815 0.34 . . . . 0.0 110.587 179.763 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.82 -17.62 56.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.493 -179.771 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 25.8 ttm -84.61 -42.38 15.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.847 179.93 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.7 m-20 -149.91 73.09 9.54 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.941 179.969 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -79.92 156.84 23.83 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.626 2.217 . . . . 0.0 112.336 -179.932 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 41.8 m -81.89 -117.37 0.02 OUTLIER 'General case' 0 N--CA 1.439 -0.999 0 CA-C-O 121.229 0.538 . . . . 0.0 110.861 179.901 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.7 m -81.59 104.36 11.96 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.065 -179.747 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.03 92.3 1.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.781 179.913 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.943 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.416 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.466 0 CA-C-O 120.783 0.325 . . . . 0.0 110.873 . . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.591 HG22 HG12 ' A' ' 13' ' ' VAL . 3.0 t -92.79 165.48 1.91 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.288 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.524 179.568 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.471 ' H ' HG12 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -77.99 -169.42 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.092 -179.19 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.9 tp -67.33 -34.06 76.57 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.531 -179.39 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -155.39 72.19 0.8 Allowed 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.208 179.842 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -140.26 162.44 35.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.815 179.868 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.8 t -73.77 146.46 44.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.69 179.862 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.519 ' HB3' HG21 ' A' ' 2' ' ' VAL . 21.3 p -109.74 -25.04 10.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.298 -179.849 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.462 ' C ' ' O ' ' A' ' 8' ' ' CYS . 4.3 tp 24.37 88.19 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.106 -179.943 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.98 -25.28 0.23 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.56 -179.76 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 76.55 -37.58 0.29 Allowed 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.01 34.89 0.84 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.663 0.268 . . . . 0.0 111.072 179.991 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.591 HG12 HG22 ' A' ' 2' ' ' VAL . 28.4 t -142.74 82.21 12.59 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.744 0.307 . . . . 0.0 111.203 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -73.26 161.41 42.99 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.615 2.21 . . . . 0.0 112.455 -179.999 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.3 t -65.16 135.99 56.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.445 -179.943 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.416 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -73.62 -2.6 23.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.695 179.445 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.606 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 16.4 t70 -98.03 137.82 20.9 Favored Pre-proline 0 C--O 1.234 0.287 0 CA-C-O 120.986 0.422 . . . . 0.0 111.82 -179.038 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -54.47 137.9 73.22 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.562 2.174 . . . . 0.0 111.623 179.396 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 41.8 t 63.68 12.09 6.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.872 -179.174 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.606 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -108.0 130.84 55.03 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 120.857 0.36 . . . . 0.0 110.976 179.806 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.5 t -138.51 137.71 37.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.685 -179.923 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 11.9 t -73.58 112.38 9.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 179.936 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.475 ' CD1' ' HG3' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -119.06 156.05 30.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.406 179.743 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.443 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 14.2 m -100.42 132.34 45.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.026 -179.737 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.29 -9.07 58.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.325 179.925 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.49 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -144.43 -154.81 0.55 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.788 179.782 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.49 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.51 -70.58 0.1 Allowed 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 120.972 0.415 . . . . 0.0 110.388 179.511 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -155.77 78.21 0.98 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.756 179.483 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.79 -65.29 0.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -179.721 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.443 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 7.4 m-85 -84.3 63.4 7.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.84 0.352 . . . . 0.0 111.125 -179.492 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 19.4 m -96.63 104.87 16.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.947 179.835 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -138.61 163.15 32.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.27 -179.871 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 1.7 t -57.7 136.71 56.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.156 -179.885 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.475 ' HG3' ' CD1' ' A' ' 23' ' ' TYR . 4.6 mmt-85 -138.57 126.59 22.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.32 179.237 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.61 33.91 0.52 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.838 -179.485 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 57.41 109.2 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.226 0.536 . . . . 0.0 111.205 179.766 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -78.79 54.05 4.1 Favored Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.758 179.921 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 70.0 p -92.94 77.86 4.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.893 0.378 . . . . 0.0 110.472 179.776 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.65 -16.34 37.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.539 -179.851 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -84.38 -37.95 20.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.946 179.784 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -150.45 71.93 9.09 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.193 -179.95 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -75.98 159.48 37.75 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.642 2.228 . . . . 0.0 112.424 179.935 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 53.8 m -82.25 -117.29 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.074 0 CA-C-O 121.239 0.542 . . . . 0.0 110.83 179.954 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.61 135.79 35.55 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.154 -179.817 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.24 31.07 0.39 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.857 -179.941 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.282 -0.865 . . . . 0.0 110.933 179.997 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.426 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 120.775 0.322 . . . . 0.0 110.8 . . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.537 HG21 ' HB3' ' A' ' 8' ' ' CYS . 4.5 t -93.02 163.13 2.28 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.313 0 CA-C-O 120.892 0.377 . . . . 0.0 110.695 179.769 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.47 ' N ' HG12 ' A' ' 2' ' ' VAL . 14.1 mtt85 -78.7 -164.6 0.6 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.147 -179.131 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.0 tp -68.55 -29.27 67.8 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.156 -179.455 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -155.69 46.08 0.48 Allowed 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.884 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.456 ' O ' HG11 ' A' ' 2' ' ' VAL . 32.2 tp10 -106.43 158.19 17.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.804 179.776 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 57.0 p -74.54 146.12 42.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.071 179.956 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.537 ' HB3' HG21 ' A' ' 2' ' ' VAL . 31.2 p -110.7 -22.07 11.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.221 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 8' ' ' CYS . 27.1 tp 25.67 92.64 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.317 -179.852 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 143.7 -26.99 2.08 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.419 179.94 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 73.4 -7.69 1.49 Allowed 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 111.957 0.355 . . . . 0.0 111.957 -179.995 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.416 ' O ' ' HD3' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -91.61 -15.3 28.8 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 120.686 0.279 . . . . 0.0 111.108 179.747 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.46 HG12 ' CG2' ' A' ' 2' ' ' VAL . 22.0 t -102.91 87.95 1.37 Allowed Pre-proline 0 C--N 1.332 -0.18 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.664 -179.714 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.416 ' HD3' ' O ' ' A' ' 12' ' ' GLN . 51.9 Cg_endo -70.06 160.9 47.98 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.428 2.085 . . . . 0.0 112.178 179.712 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.414 ' SG ' ' HB1' ' A' ' 20' ' ' ALA . 11.9 t -64.97 135.32 55.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.286 -179.947 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.426 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.93 -3.89 28.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.49 179.483 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.499 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -94.89 140.58 22.56 Favored Pre-proline 0 CA--C 1.532 0.264 0 CA-C-O 120.919 0.39 . . . . 0.0 111.698 -179.24 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -55.72 134.82 66.26 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.572 2.181 . . . . 0.0 111.749 179.558 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.2 t 64.24 13.2 7.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.111 -179.535 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -105.37 130.7 53.42 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.907 0.385 . . . . 0.0 111.045 179.679 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.6 t -136.68 143.7 43.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.791 -179.986 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.3 t -73.75 135.24 43.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.239 -179.9 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.496 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 1.5 p90 -132.48 142.3 49.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.563 179.519 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 21.4 m -97.07 131.36 43.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.293 -179.575 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.47 -8.98 58.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.272 179.633 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.499 ' CE1' ' CE1' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -144.02 -154.41 0.53 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.711 179.685 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.499 ' CE1' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.37 -71.54 0.08 Allowed 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 120.92 0.391 . . . . 0.0 110.361 179.626 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -155.91 77.32 0.95 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.682 179.431 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.8 -64.19 0.16 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.68 0.276 . . . . 0.0 111.711 -179.669 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.4 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 3.9 m-85 -84.29 64.64 8.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.806 0.336 . . . . 0.0 111.085 -179.581 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 8.6 m -99.96 116.08 31.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.227 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.483 ' N ' ' CD1' ' A' ' 32' ' ' TYR . 0.5 OUTLIER -139.31 160.02 40.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.135 179.774 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.5 t -57.72 143.29 42.32 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.413 -179.662 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.496 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 39.6 ttt85 -140.12 128.05 22.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.442 179.256 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.04 27.15 0.79 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.744 -179.723 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 57.79 109.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.16 0.505 . . . . 0.0 111.271 179.93 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.12 55.06 3.56 Favored Glycine 0 N--CA 1.453 -0.189 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.516 179.98 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.2 p -91.96 77.21 5.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.905 0.383 . . . . 0.0 110.658 179.696 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.13 -16.93 49.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.469 -179.842 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 5.8 mtt -84.45 -38.05 20.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.853 179.908 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -150.35 73.21 9.15 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.099 179.977 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.82 152.65 37.25 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.67 2.246 . . . . 0.0 112.377 179.985 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 43.6 m -82.23 -117.21 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.081 0 CA-C-O 121.11 0.481 . . . . 0.0 111.036 179.916 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.4 t -81.74 67.23 7.63 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.123 -179.75 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.2 tpp85 -155.92 107.94 2.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.776 179.786 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 74.0 m . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.27 -0.872 . . . . 0.0 110.853 -179.961 . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.407 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 120.81 0.338 . . . . 0.0 110.833 . . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.534 ' CG2' HG12 ' A' ' 13' ' ' VAL . 6.5 t -93.46 162.48 2.39 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.289 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.718 179.77 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.475 ' N ' HG12 ' A' ' 2' ' ' VAL . 17.4 mmt85 -78.59 -165.08 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 -179.19 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.9 tp -68.53 -29.73 68.38 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.095 -179.781 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -155.47 75.47 0.93 Allowed 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.024 179.801 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -136.82 168.08 20.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.539 179.874 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 38.7 t -86.07 145.21 27.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.156 -179.835 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.653 ' C ' HD23 ' A' ' 9' ' ' LEU . 20.5 p -110.23 -16.6 13.72 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.282 179.973 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.653 HD23 ' C ' ' A' ' 8' ' ' CYS . 0.6 OUTLIER 26.18 95.4 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -179.897 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 131.08 -22.13 4.53 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.471 179.906 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 68.88 4.88 4.69 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 111.573 0.212 . . . . 0.0 111.573 -179.76 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.697 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -93.77 -19.41 21.08 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.69 0.281 . . . . 0.0 110.823 179.668 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.697 HG23 ' OE1' ' A' ' 12' ' ' GLN . 33.5 t -102.85 87.85 1.33 Allowed Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.303 -179.828 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.425 ' HD3' ' O ' ' A' ' 12' ' ' GLN . 45.9 Cg_endo -69.44 159.66 52.8 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.378 2.052 . . . . 0.0 112.202 179.811 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.8 t -64.86 135.86 56.22 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.257 -179.924 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.407 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.55 -5.63 38.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.339 179.288 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.472 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.8 OUTLIER -87.84 143.38 33.38 Favored Pre-proline 0 C--O 1.233 0.234 0 CA-C-O 120.867 0.365 . . . . 0.0 111.636 -179.407 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_endo -56.55 132.0 49.15 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.706 2.271 . . . . 0.0 111.822 179.513 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.473 ' SG ' HD13 ' A' ' 36' ' ' LEU . 48.8 t 62.24 16.36 8.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 -179.447 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -105.88 130.73 53.79 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.77 0.319 . . . . 0.0 111.134 179.796 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.471 HG22 ' NE ' ' A' ' 34' ' ' ARG . 0.3 OUTLIER -137.57 160.06 40.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.504 179.985 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.6 t -72.35 151.7 42.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.047 0.451 . . . . 0.0 111.079 -179.846 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.4 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 87.1 t80 -155.47 138.36 15.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.557 179.908 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 22.1 m -98.75 131.8 44.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.123 -179.83 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.89 -10.29 59.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.013 0.435 . . . . 0.0 111.312 179.783 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.492 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.26 -155.15 0.59 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.847 179.634 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.492 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.96 -68.29 0.22 Allowed 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 120.987 0.422 . . . . 0.0 110.427 179.518 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -155.84 80.77 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.769 179.635 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.86 -70.74 0.15 Allowed 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -179.705 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.405 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 1.5 m-85 -84.22 66.31 9.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.856 0.36 . . . . 0.0 111.144 -179.46 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 27.9 m -97.84 104.24 16.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.648 179.814 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -134.11 177.9 7.38 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.473 -179.749 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.9 t -68.43 138.79 55.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.571 -179.483 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.471 ' NE ' HG22 ' A' ' 21' ' ' THR . 0.0 OUTLIER -142.04 119.29 11.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.375 178.766 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -83.19 49.71 1.6 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.265 -0.425 . . . . 0.0 112.118 -178.734 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.473 HD13 ' SG ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER 48.55 103.75 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.221 0.534 . . . . 0.0 111.832 179.365 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -71.37 56.48 1.18 Allowed Glycine 0 C--N 1.322 -0.222 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.66 179.755 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.01 76.51 4.72 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.782 0.325 . . . . 0.0 110.738 179.817 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.64 -17.45 55.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.387 -179.937 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.89 -48.37 9.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.914 179.967 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -150.13 79.36 7.62 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.244 -179.962 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -78.54 168.48 21.25 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.621 2.214 . . . . 0.0 112.313 179.842 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 47.4 m -82.08 -117.55 0.02 OUTLIER 'General case' 0 N--CA 1.439 -1.003 0 CA-C-O 121.209 0.528 . . . . 0.0 110.82 179.913 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.7 113.13 19.48 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.995 -179.823 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -154.84 64.05 0.65 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.886 -179.974 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.944 179.99 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.435 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 120.795 0.331 . . . . 0.0 110.875 . . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.55 HG21 ' HB3' ' A' ' 8' ' ' CYS . 2.7 t -94.34 166.09 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.668 179.769 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.491 ' H ' HG12 ' A' ' 2' ' ' VAL . 76.7 mtt180 -78.02 -166.86 0.87 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.982 -179.321 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 14.5 tp -69.05 -37.36 78.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.286 -179.512 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -154.78 68.21 0.71 Allowed 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.096 179.846 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -139.59 169.65 17.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.833 179.85 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 70.0 p -65.13 144.75 57.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.714 179.787 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.55 ' HB3' HG21 ' A' ' 2' ' ' VAL . 21.3 p -109.42 -26.46 9.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.213 -179.888 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.592 HD12 ' O ' ' A' ' 9' ' ' LEU . 1.6 pp 22.26 93.36 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.235 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 164.49 -23.66 0.17 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.943 -179.894 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 74.24 -52.25 0.69 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.701 0.251 . . . . 0.0 111.549 -179.974 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.811 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -87.1 10.03 17.97 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.585 0.217 . . . . 0.0 111.585 -179.876 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.811 HG23 ' OE1' ' A' ' 12' ' ' GLN . 23.4 t -105.75 84.87 1.32 Allowed Pre-proline 0 C--N 1.332 -0.169 0 CA-C-O 120.749 0.309 . . . . 0.0 111.042 179.673 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.421 ' O ' ' HB3' ' A' ' 1' ' ' CYS . 52.0 Cg_endo -70.4 160.55 49.14 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.505 2.137 . . . . 0.0 112.342 179.866 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.6 t -64.62 138.52 58.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.203 -179.959 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.435 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.1 -5.61 36.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.478 179.668 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.576 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 9.1 m-20 -96.08 135.39 22.74 Favored Pre-proline 0 C--O 1.234 0.271 0 CA-C-O 120.884 0.373 . . . . 0.0 111.654 -179.235 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -54.24 137.67 71.17 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.558 2.172 . . . . 0.0 111.596 179.433 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.8 t 64.41 11.93 6.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.468 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.576 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -107.59 132.38 53.34 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 120.769 0.318 . . . . 0.0 111.115 179.82 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.4 t -137.52 144.6 42.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.791 -179.997 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 46.7 t -72.1 122.28 20.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.89 0.376 . . . . 0.0 111.236 -179.789 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -113.36 140.03 48.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.532 179.593 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 57.2 m -103.13 126.39 50.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.971 -179.86 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.18 -9.96 59.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.537 179.798 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.52 ' CD2' ' CZ ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -144.28 -159.09 0.95 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.77 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.52 ' CZ ' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.69 -67.62 0.29 Allowed 'General case' 0 N--CA 1.444 -0.743 0 CA-C-O 120.896 0.379 . . . . 0.0 110.427 179.541 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -154.97 76.72 1.0 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.71 179.496 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.49 -65.39 0.16 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.525 -179.71 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -84.4 62.04 6.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.827 0.346 . . . . 0.0 111.039 -179.715 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 51.4 m -99.23 109.92 22.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.814 179.976 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -136.12 158.0 45.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 179.894 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.42 ' SG ' ' HB1' ' A' ' 20' ' ' ALA . 5.8 t -57.53 144.04 38.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.034 0.445 . . . . 0.0 111.11 -179.82 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -138.13 126.65 23.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.318 179.512 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.98 22.33 1.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.792 -179.686 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 58.55 109.08 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.165 0.507 . . . . 0.0 111.366 179.804 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.18 56.19 4.84 Favored Glycine 0 N--CA 1.451 -0.315 0 CA-C-N 115.425 -0.807 . . . . 0.0 112.53 179.875 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.15 75.61 7.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.893 0.377 . . . . 0.0 110.763 179.91 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.99 -17.38 56.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.527 -179.789 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -84.7 -42.7 15.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.783 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -150.07 73.22 9.38 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.815 179.945 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -80.67 164.15 20.93 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.644 2.229 . . . . 0.0 112.405 -179.925 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 49.9 m -81.41 -116.15 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.058 0 CA-C-O 121.141 0.495 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 p -80.97 102.35 10.09 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.985 -179.713 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.1 tpp85 -154.93 77.91 1.03 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.915 179.939 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.9 -179.968 . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.444 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.452 0 CA-C-O 120.702 0.287 . . . . 0.0 110.926 . . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.521 HG12 ' H ' ' A' ' 3' ' ' ARG . 1.7 t -94.25 168.84 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.612 179.801 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.521 ' H ' HG12 ' A' ' 2' ' ' VAL . 15.9 mmt85 -79.1 -165.09 0.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.982 -179.3 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.656 HD12 ' OD2' ' A' ' 17' ' ' ASP . 8.0 tp -68.82 -37.55 79.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.191 -179.574 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -154.92 68.9 0.71 Allowed 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.155 179.854 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -139.97 161.73 36.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.639 179.701 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.9 m -56.59 150.9 14.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.459 ' O ' ' C ' ' A' ' 9' ' ' LEU . 30.5 p -107.33 -29.37 9.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.179 -179.826 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.595 HD12 ' O ' ' A' ' 9' ' ' LEU . 1.6 pp 22.13 95.36 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.274 179.853 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 159.99 -19.37 0.24 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.969 -179.909 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 71.06 -55.11 0.66 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.792 0.296 . . . . 0.0 111.347 -179.801 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.763 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -91.29 38.32 0.97 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.825 0.345 . . . . 0.0 110.829 179.824 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.763 HG23 ' OE1' ' A' ' 12' ' ' GLN . 21.7 t -135.25 83.22 39.16 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.006 179.815 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.406 ' O ' ' HB3' ' A' ' 1' ' ' CYS . 57.9 Cg_endo -72.43 162.65 40.86 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.605 2.203 . . . . 0.0 112.395 -179.859 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.7 t -64.31 139.82 58.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.405 -179.975 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.444 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.33 -6.31 42.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.508 179.523 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.656 ' OD2' HD12 ' A' ' 4' ' ' LEU . 76.4 m-20 -94.76 136.09 23.28 Favored Pre-proline 0 CA--C 1.531 0.231 0 CA-C-O 120.869 0.366 . . . . 0.0 111.659 -179.204 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -55.04 136.14 71.77 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.509 2.14 . . . . 0.0 111.617 179.476 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.7 t 64.48 12.59 7.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.955 -179.484 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -106.54 131.78 53.31 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.76 0.315 . . . . 0.0 110.921 179.76 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 t -137.06 148.7 46.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.893 -179.852 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 54.1 t -71.6 115.24 10.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.166 -179.862 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -106.22 140.77 38.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.664 179.662 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 69.5 m -103.39 120.9 41.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.403 ' HB2' ' HB3' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -73.27 -9.58 58.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.591 -179.894 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.493 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.29 -159.07 0.96 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.878 179.663 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.493 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -57.11 -67.45 0.32 Allowed 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 120.961 0.41 . . . . 0.0 110.354 179.576 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -155.14 74.17 0.9 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.756 179.597 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.56 -62.18 0.16 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.552 -179.686 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.403 ' HB3' ' HB2' ' A' ' 25' ' ' ARG . 23.9 m-85 -84.54 58.0 4.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.867 0.365 . . . . 0.0 110.853 -179.732 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 62.2 m -98.6 101.69 13.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.899 179.881 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -135.83 160.56 38.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 -179.908 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.41 ' SG ' ' HB1' ' A' ' 20' ' ' ALA . 8.6 t -54.45 144.77 20.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.079 0.466 . . . . 0.0 111.183 -179.73 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.56 129.23 26.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.366 179.528 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.79 8.01 16.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.785 -179.646 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.49 110.81 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 121.142 0.496 . . . . 0.0 111.238 179.736 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -84.91 54.81 4.95 Favored Glycine 0 N--CA 1.452 -0.3 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.471 -179.987 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 76.0 p -90.57 76.11 6.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.863 0.363 . . . . 0.0 110.683 179.846 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.48 -18.17 57.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.465 -179.841 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.51 -32.49 23.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.746 179.789 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -150.16 64.66 6.92 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.834 179.883 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.98 150.77 30.24 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.65 2.233 . . . . 0.0 112.308 -179.848 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 40.0 m -81.73 -116.91 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.099 0 CA-C-O 121.156 0.503 . . . . 0.0 110.866 179.908 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.9 m -81.32 95.96 7.16 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.005 -179.745 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.98 82.61 1.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.816 -179.994 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.308 -0.853 . . . . 0.0 110.88 -179.966 . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.425 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.758 0.314 . . . . 0.0 110.842 . . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.517 HG23 HG12 ' A' ' 13' ' ' VAL . 9.6 t -93.62 163.23 2.28 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.241 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.769 179.789 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.501 ' N ' HG12 ' A' ' 2' ' ' VAL . 5.4 mtt180 -78.12 -162.52 0.35 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.255 -179.124 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.3 tp -67.85 -32.9 73.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.085 -179.566 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.81 47.33 0.55 Allowed 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.194 179.963 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.414 ' O ' HG11 ' A' ' 2' ' ' VAL . 45.4 tp10 -104.67 161.43 14.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.695 179.551 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.2 t -80.48 149.61 29.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.959 -179.93 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.473 ' HB3' HG21 ' A' ' 2' ' ' VAL . 5.9 p -109.37 -6.98 15.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.426 -179.933 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.518 ' N ' HD23 ' A' ' 9' ' ' LEU . 0.5 OUTLIER 24.25 94.58 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.538 0.569 . . . . 0.0 112.538 179.946 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.6 -20.78 7.29 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.498 179.942 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 70.65 2.17 4.01 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 -179.869 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -95.05 23.25 5.79 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.651 0.262 . . . . 0.0 110.859 179.436 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.517 HG12 HG23 ' A' ' 2' ' ' VAL . 24.9 t -141.58 91.62 8.37 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.171 -179.602 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -68.76 158.02 59.48 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.388 2.058 . . . . 0.0 112.249 179.845 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.9 t -65.23 134.54 53.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.429 179.999 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.425 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.4 -5.65 37.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.245 179.215 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.501 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -92.81 138.31 23.6 Favored Pre-proline 0 C--O 1.234 0.267 0 CA-C-O 120.948 0.404 . . . . 0.0 111.54 -179.332 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -54.72 134.44 62.6 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.624 2.216 . . . . 0.0 112.035 179.551 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 34.9 t 63.86 13.73 7.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.282 -179.739 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -105.87 135.02 48.06 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.634 0.254 . . . . 0.0 110.728 179.622 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 t -139.72 148.62 42.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.897 0.38 . . . . 0.0 111.349 -179.611 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.57 138.16 44.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.094 179.695 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.451 ' CD1' ' HB3' ' A' ' 34' ' ' ARG . 0.8 OUTLIER -141.12 146.23 36.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.597 179.769 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 35.3 m -100.24 130.77 46.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.066 -179.875 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.8 -11.23 60.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.208 179.833 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.498 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.94 -155.54 0.63 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.828 179.701 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.498 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.98 -68.78 0.18 Allowed 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 120.974 0.416 . . . . 0.0 110.514 179.527 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -154.46 80.32 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.693 179.576 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -153.05 -70.29 0.15 Allowed 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 -179.825 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.403 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 20.9 m-85 -84.28 65.52 8.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.243 -179.433 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 32.2 m -99.01 104.36 16.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.989 179.826 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.435 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 2.4 p90 -139.12 165.72 26.42 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.064 0.459 . . . . 0.0 111.366 -179.924 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.0 t -58.29 147.4 30.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.362 -179.845 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.451 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -139.91 134.16 31.22 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.387 179.023 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -85.86 15.42 4.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.796 -179.508 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.65 111.35 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.113 0.482 . . . . 0.0 111.138 179.971 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.78 54.55 3.39 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.596 179.96 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.2 p -89.97 76.1 7.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.872 0.368 . . . . 0.0 110.648 179.833 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.62 -16.91 52.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.58 -179.844 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 20.9 mtm -84.27 -41.79 16.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.89 0.376 . . . . 0.0 110.867 179.912 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -150.16 73.1 9.33 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 179.818 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -77.55 151.59 29.02 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.566 2.177 . . . . 0.0 112.322 -179.878 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 36.7 m -82.38 -118.1 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.075 0 CA-C-O 121.165 0.507 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.06 136.52 35.2 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.005 -179.812 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.5 ttt85 -154.85 31.89 0.4 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.889 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.6 p . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.908 179.96 . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.9 p . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.854 0.359 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.664 HG21 ' HB3' ' A' ' 8' ' ' CYS . 3.1 t -96.25 163.25 2.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.2 -179.785 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.451 ' N ' HG12 ' A' ' 2' ' ' VAL . 19.9 mtt180 -78.62 -166.12 0.82 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.152 -179.509 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 tp -69.11 -24.81 64.16 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.73 -179.474 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -156.33 40.2 0.36 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 120.906 0.384 . . . . 0.0 111.294 -179.914 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.58 ' O ' HG11 ' A' ' 2' ' ' VAL . 14.5 tt0 -105.17 159.44 15.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.634 179.546 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 24.3 p -73.91 148.66 42.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.841 179.993 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.664 ' HB3' HG21 ' A' ' 2' ' ' VAL . 17.1 p -109.41 -24.58 10.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.202 -179.879 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.63 HD12 ' O ' ' A' ' 9' ' ' LEU . 1.5 pp 25.87 93.1 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.298 -179.815 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 141.82 -28.27 2.28 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.425 179.912 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 74.54 -14.2 0.74 Allowed 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.187 0.439 . . . . 0.0 112.187 -179.957 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -88.56 -12.58 42.35 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 120.658 0.266 . . . . 0.0 111.125 -179.906 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.1 t -101.78 90.09 1.75 Allowed Pre-proline 0 C--N 1.332 -0.18 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.548 -179.643 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -68.21 158.66 56.53 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.386 2.058 . . . . 0.0 112.201 179.682 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.4 t -65.08 149.29 50.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.254 -179.975 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.5 m -74.45 1.72 11.16 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.833 -0.622 . . . . 0.0 112.317 -179.912 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.557 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 5.7 m-20 -111.92 140.25 23.19 Favored Pre-proline 0 CA--C 1.532 0.272 0 CA-C-O 121.044 0.449 . . . . 0.0 111.988 -178.951 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -55.49 137.57 78.05 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.551 2.167 . . . . 0.0 111.471 179.24 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.5 t 64.97 10.93 6.65 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 -179.336 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -103.42 124.67 49.14 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-O 120.792 0.329 . . . . 0.0 110.769 179.568 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.7 t -130.54 163.47 27.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.763 -179.775 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.0 t -70.49 140.06 51.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.996 0.427 . . . . 0.0 111.208 -179.845 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.411 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 38.8 t80 -134.52 126.03 28.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.399 179.963 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 13.2 m -96.69 130.33 43.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.208 -179.676 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.57 -8.91 57.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.223 179.497 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.537 ' CD2' ' CZ ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -142.77 -157.0 0.73 Allowed 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 179.666 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.537 ' CZ ' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.61 -68.62 0.18 Allowed 'General case' 0 N--CA 1.445 -0.677 0 CA-C-O 120.881 0.372 . . . . 0.0 110.371 179.597 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.9 p-10 -155.91 80.69 1.0 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.685 179.573 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.1 -70.73 0.16 Allowed 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -179.685 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.4 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.3 OUTLIER -83.9 67.21 9.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.911 0.386 . . . . 0.0 111.158 -179.509 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 13.9 m -99.09 113.13 25.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.99 179.944 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -133.87 165.38 25.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.149 179.965 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.9 t -56.01 141.19 40.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.105 0.478 . . . . 0.0 111.274 -179.844 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.8 mmm-85 -142.17 125.12 16.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.133 179.338 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.4 mtmp? -84.54 19.97 1.83 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.824 -179.687 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 58.97 109.37 0.02 OUTLIER 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.16 0.505 . . . . 0.0 111.252 179.796 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.35 55.67 4.38 Favored Glycine 0 N--CA 1.451 -0.329 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.555 179.919 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -89.97 75.16 7.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.855 0.36 . . . . 0.0 110.598 179.841 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.82 -17.87 57.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.438 -179.999 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 43.6 tpp -84.76 -42.04 15.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.865 179.876 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -150.33 73.87 9.07 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.154 -179.972 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -79.48 162.88 24.72 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.7 2.267 . . . . 0.0 112.287 -179.999 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 48.4 m -82.17 -117.82 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.09 0 CA-C-O 121.203 0.525 . . . . 0.0 110.877 179.916 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.4 m -82.01 121.64 26.79 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.085 -179.758 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.7 tpp85 -155.09 60.74 0.65 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.824 179.89 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.854 -179.971 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.792 0.329 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.593 HG21 ' HB3' ' A' ' 8' ' ' CYS . 11.4 t -95.8 161.78 2.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.299 -179.756 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.501 ' N ' HG12 ' A' ' 2' ' ' VAL . 1.7 mtt85 -78.22 -169.47 1.63 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.73 -179.463 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.9 tp -67.56 -30.21 69.78 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 120.804 0.335 . . . . 0.0 111.335 -179.508 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -154.89 69.87 0.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.228 179.884 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.432 ' HB2' ' HB2' ' A' ' 3' ' ' ARG . 5.5 tt0 -140.59 163.11 33.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.658 179.584 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 40.1 t -72.54 153.7 41.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.593 ' HB3' HG21 ' A' ' 2' ' ' VAL . 25.5 p -108.63 1.05 21.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.499 179.914 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.9 OUTLIER 22.45 95.88 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 179.77 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 117.91 -24.88 8.68 Favored Glycine 0 C--N 1.33 0.215 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.643 179.749 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 74.45 -6.3 1.92 Allowed 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.78 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.642 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -96.12 34.94 1.49 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.912 0.387 . . . . 0.0 110.767 179.476 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.642 HG23 ' OE1' ' A' ' 12' ' ' GLN . 35.5 t -140.14 93.46 9.15 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.179 -179.8 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -62.98 152.38 79.67 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.325 2.017 . . . . 0.0 112.405 -179.895 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.7 t -65.65 146.23 55.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.57 -179.862 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 99.2 m -72.2 -10.34 59.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.376 179.476 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.537 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 1.9 m-20 -99.41 135.26 20.72 Favored Pre-proline 0 C--O 1.234 0.246 0 CA-C-O 120.961 0.41 . . . . 0.0 112.016 -178.953 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -54.7 139.36 76.99 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.503 2.135 . . . . 0.0 111.511 179.207 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.5 t 66.15 7.64 4.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.253 -179.372 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -105.52 132.2 51.98 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 120.719 0.295 . . . . 0.0 110.839 179.555 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.6 t -139.26 147.14 41.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.048 -179.654 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 50.5 t -73.44 138.93 45.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.133 179.793 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.474 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -142.3 150.47 40.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.633 179.626 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 35.9 m -100.69 122.68 43.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.048 -179.872 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.415 ' HB2' ' HB3' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -73.44 -8.94 58.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.377 179.881 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.505 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -144.93 -155.97 0.66 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.968 179.656 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.505 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.17 -69.85 0.13 Allowed 'General case' 0 N--CA 1.445 -0.688 0 CA-C-O 120.86 0.362 . . . . 0.0 110.514 179.635 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -155.45 75.57 0.93 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.781 179.564 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.82 -59.35 0.14 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.572 -179.817 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.44 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 3.7 m-85 -85.1 55.47 3.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.114 -179.697 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.474 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 37.9 m -95.83 96.66 9.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.761 179.908 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -139.28 165.44 27.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.107 0.479 . . . . 0.0 111.708 -179.758 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 4.7 t -55.67 146.49 20.82 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.579 -179.795 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.459 ' CG ' ' CD1' ' A' ' 23' ' ' TYR . 4.8 mmm180 -138.67 128.24 24.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.164 179.293 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.49 10.02 9.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.932 -179.623 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.06 110.72 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 121.185 0.517 . . . . 0.0 111.221 179.808 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -83.08 55.63 5.04 Favored Glycine 0 N--CA 1.452 -0.277 0 CA-C-N 115.432 -0.804 . . . . 0.0 112.506 179.973 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.2 p -89.74 74.97 7.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.925 0.393 . . . . 0.0 110.678 179.897 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.86 -18.51 60.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.483 -179.954 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.63 -36.3 22.09 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.78 179.898 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -150.22 69.0 8.87 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -76.74 155.09 34.93 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.532 2.155 . . . . 0.0 112.204 179.917 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 41.7 m -81.9 -117.46 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.031 0 CA-C-O 121.217 0.532 . . . . 0.0 110.754 179.986 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.2 m -81.78 85.03 6.69 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.115 -179.68 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.45 96.09 1.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.762 179.915 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 62.8 m . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.992 179.962 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.449 0 CA-C-O 120.948 0.404 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.813 HG12 ' HA ' ' A' ' 15' ' ' CYS . 0.3 OUTLIER -94.98 177.95 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.699 179.682 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.438 ' H ' HG22 ' A' ' 2' ' ' VAL . 5.6 mmt180 -79.7 -163.56 0.54 Allowed 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.994 -179.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 40.0 tp -68.83 -39.69 79.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.392 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -155.85 77.69 0.97 Allowed 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 120.878 0.37 . . . . 0.0 111.849 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.721 ' CG ' HG22 ' A' ' 2' ' ' VAL . 7.0 pt-20 -140.51 174.31 10.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.561 179.103 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.89 143.02 51.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.881 0.372 . . . . 0.0 111.304 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' A' ' 9' ' ' LEU . 24.2 p -109.49 -2.57 17.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.226 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.624 HD12 ' O ' ' A' ' 9' ' ' LEU . 1.9 pp 22.32 99.52 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.48 -24.67 8.0 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.846 179.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 69.92 2.48 3.9 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.63 0.233 . . . . 0.0 111.63 -179.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.885 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -93.49 -10.28 35.48 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.694 0.283 . . . . 0.0 111.001 179.498 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.885 HG23 ' OE1' ' A' ' 12' ' ' GLN . 41.9 t -100.93 90.56 1.58 Allowed Pre-proline 0 C--N 1.333 -0.152 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.118 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.414 ' HD3' ' O ' ' A' ' 12' ' ' GLN . 28.7 Cg_endo -64.9 153.74 76.54 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.337 2.025 . . . . 0.0 112.089 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.813 ' HA ' HG12 ' A' ' 2' ' ' VAL . 6.1 t -66.11 136.0 55.36 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.474 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.488 ' HB2' ' O ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER -72.05 -7.15 47.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.08 179.126 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.489 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.5 OUTLIER -90.87 133.28 32.53 Favored Pre-proline 0 C--O 1.234 0.244 0 CA-C-O 120.988 0.423 . . . . 0.0 111.346 -179.622 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -53.74 134.9 60.69 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.575 2.183 . . . . 0.0 112.079 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 33.9 t 63.98 13.75 7.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.575 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -105.12 134.31 48.44 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 120.637 0.256 . . . . 0.0 110.901 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 t -137.7 146.39 43.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.254 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 5.4 t -73.05 131.54 42.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.199 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.442 ' CD1' ' HG3' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -131.44 148.01 52.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.484 179.602 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.443 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 40.2 m -99.66 128.12 45.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.129 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.17 -10.52 59.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.319 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.491 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.45 -154.76 0.56 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.888 179.72 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.491 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.65 -71.0 0.09 Allowed 'General case' 0 N--CA 1.445 -0.715 0 CA-C-O 120.912 0.387 . . . . 0.0 110.535 179.562 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -155.19 75.88 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.779 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -153.09 -61.57 0.15 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.856 0.36 . . . . 0.0 111.585 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.409 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 9.6 m-85 -84.33 59.02 5.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.832 -179.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.443 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 31.0 m -97.57 103.07 14.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -137.68 163.61 30.86 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.435 ' HB2' HG11 ' A' ' 2' ' ' VAL . 13.5 t -53.99 145.97 15.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.13 0.491 . . . . 0.0 111.384 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.442 ' HG3' ' CD1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -139.05 127.92 23.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.389 179.36 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.22 14.09 4.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.718 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.61 111.15 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 121.201 0.524 . . . . 0.0 111.205 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.16 54.51 3.53 Favored Glycine 0 N--CA 1.451 -0.308 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.581 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.6 p -91.28 77.11 5.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.934 0.397 . . . . 0.0 110.59 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.06 -17.13 50.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.61 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.8 ttm -84.03 -38.27 21.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.832 0.348 . . . . 0.0 110.784 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -150.26 69.41 8.93 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.758 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_endo -77.91 145.82 22.77 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.671 2.247 . . . . 0.0 112.533 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 36.6 m -82.29 -118.34 0.02 OUTLIER 'General case' 0 N--CA 1.435 -1.184 0 CA-C-O 121.285 0.564 . . . . 0.0 110.815 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.316 -0.853 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.989 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.415 ' HB3' ' O ' ' A' ' 14' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.474 0 CA-C-O 120.759 0.314 . . . . 0.0 110.931 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.747 HG12 ' HA ' ' A' ' 15' ' ' CYS . 0.8 OUTLIER -94.16 -179.35 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.578 179.522 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.574 ' H ' HG22 ' A' ' 2' ' ' VAL . 6.5 mtm180 -79.73 -169.36 1.93 Allowed 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.075 -179.207 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.586 HD12 ' CG ' ' A' ' 17' ' ' ASP . 6.6 tp -68.23 -33.94 75.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.229 -179.527 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.69 71.84 0.83 Allowed 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.057 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -138.92 167.51 21.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.683 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.4 p -65.54 142.52 58.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.731 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.842 ' C ' HD23 ' A' ' 9' ' ' LEU . 27.9 p -108.38 -20.34 13.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.318 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.842 HD23 ' C ' ' A' ' 8' ' ' CYS . 1.9 pt? 18.18 98.9 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.257 0.623 . . . . 0.0 112.649 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 147.48 -28.58 1.49 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.42 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 74.89 -31.56 0.21 Allowed 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.904 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -88.01 0.49 55.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.477 0.18 . . . . 0.0 111.42 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.904 HG23 ' OE1' ' A' ' 12' ' ' GLN . 27.1 t -105.29 86.41 1.64 Allowed Pre-proline 0 C--N 1.331 -0.209 0 CA-C-O 120.673 0.273 . . . . 0.0 111.261 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.415 ' O ' ' HB3' ' A' ' 1' ' ' CYS . 43.6 Cg_endo -69.7 158.35 57.33 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.467 2.112 . . . . 0.0 112.327 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.747 ' HA ' HG12 ' A' ' 2' ' ' VAL . 6.9 t -66.39 137.91 57.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.505 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.468 ' HB2' ' O ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER -72.77 -6.48 45.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.322 179.245 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.586 ' CG ' HD12 ' A' ' 4' ' ' LEU . 1.0 OUTLIER -91.67 135.52 27.61 Favored Pre-proline 0 C--O 1.233 0.224 0 CA-C-O 120.814 0.34 . . . . 0.0 111.679 -179.278 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -55.26 135.88 70.97 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.488 2.125 . . . . 0.0 111.689 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.9 t 63.66 13.98 7.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.839 -179.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -107.12 128.24 54.21 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-O 120.903 0.382 . . . . 0.0 111.048 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.3 t -134.84 143.3 46.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.65 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 29.6 t -71.7 149.16 45.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.967 0.413 . . . . 0.0 111.274 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.446 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -153.83 151.25 29.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.587 179.666 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 8.3 m -104.25 138.7 40.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.022 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.58 -11.0 60.47 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.242 179.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.491 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.38 -155.22 0.59 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.844 179.745 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.491 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.96 -66.82 0.36 Allowed 'General case' 0 N--CA 1.445 -0.724 0 CA-C-O 120.924 0.392 . . . . 0.0 110.554 179.531 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -156.08 83.44 1.0 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.636 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -150.82 -77.37 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.709 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.4 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 5.0 m-85 -84.39 71.53 10.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.891 0.377 . . . . 0.0 111.172 -179.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.3 m -98.3 108.58 21.31 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.963 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -137.12 171.14 14.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.058 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.412 ' SG ' ' HB1' ' A' ' 20' ' ' ALA . 14.1 t -61.51 145.24 52.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.42 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.446 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 17.0 ttt85 -136.67 117.79 14.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.237 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 38.4 mtpt -84.91 22.17 1.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.905 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 58.47 109.01 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 121.262 0.553 . . . . 0.0 111.305 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -82.16 53.93 4.81 Favored Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.478 -0.783 . . . . 0.0 112.641 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.4 p -91.78 76.8 5.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.894 0.378 . . . . 0.0 110.595 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.58 -16.99 53.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.483 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -84.09 -38.55 20.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.862 0.363 . . . . 0.0 110.797 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -150.19 69.41 8.98 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -78.01 158.44 30.69 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.614 2.21 . . . . 0.0 112.42 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 50.5 m -81.51 -116.64 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.051 0 CA-C-O 121.154 0.502 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.6 m . . . . . 0 C--N 1.315 -0.909 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.053 -179.846 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.43 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.449 0 CA-C-O 120.757 0.313 . . . . 0.0 110.925 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.509 HG21 ' HB3' ' A' ' 8' ' ' CYS . 3.1 t -94.04 164.62 2.06 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.274 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.638 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.454 ' H ' HG12 ' A' ' 2' ' ' VAL . 3.4 mtt85 -78.57 -166.38 0.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.925 -179.082 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 tp -68.66 -34.47 75.76 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.425 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.91 68.03 0.7 Allowed 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.181 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -140.32 158.31 44.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.599 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.6 t -60.14 151.55 26.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.608 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.509 ' HB3' HG21 ' A' ' 2' ' ' VAL . 20.9 p -107.66 -26.94 10.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.217 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.578 HD12 ' O ' ' A' ' 9' ' ' LEU . 1.6 pp 23.7 93.07 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.285 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.6 -22.62 0.25 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.733 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 74.59 -51.7 0.68 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.675 0.238 . . . . 0.0 111.471 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -90.55 36.92 0.9 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.843 0.354 . . . . 0.0 111.067 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.5 t -136.98 83.2 28.87 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.036 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.415 ' O ' ' HB3' ' A' ' 1' ' ' CYS . 58.8 Cg_endo -72.76 163.75 37.54 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.607 2.205 . . . . 0.0 112.241 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.7 t -63.89 140.37 58.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.275 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.43 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.65 -4.15 29.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.764 179.718 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.495 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 4.0 m-20 -96.87 141.95 23.82 Favored Pre-proline 0 C--O 1.233 0.228 0 CA-C-O 120.999 0.428 . . . . 0.0 111.755 -179.171 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -56.0 134.93 67.12 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.644 2.229 . . . . 0.0 111.765 179.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 47.0 t 64.14 12.74 7.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.072 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -105.51 130.12 53.65 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 120.919 0.39 . . . . 0.0 110.863 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.0 t -136.02 150.0 49.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.729 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.4 t -71.21 107.54 4.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.977 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -98.81 140.88 32.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.818 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 78.2 m -107.94 118.49 36.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.661 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.41 ' HB2' ' CB ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -73.06 -10.01 59.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.549 -179.789 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.494 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.67 -160.05 1.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 179.604 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.494 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -57.12 -67.26 0.33 Allowed 'General case' 0 N--CA 1.445 -0.707 0 CA-C-O 120.967 0.413 . . . . 0.0 110.386 179.657 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -154.17 74.07 0.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.762 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.06 -60.83 0.16 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.766 0.317 . . . . 0.0 111.51 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.414 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 82.9 m-85 -85.22 54.23 3.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.012 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 83.3 m -97.33 98.94 10.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.856 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -137.1 165.49 25.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.135 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.5 t -57.15 139.36 52.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.061 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -141.56 123.67 15.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.396 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.12 24.65 1.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.676 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 59.74 110.3 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 121.255 0.55 . . . . 0.0 111.025 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -82.19 52.38 4.63 Favored Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 115.419 -0.809 . . . . 0.0 112.763 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 37.4 p -92.97 78.65 4.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.947 0.403 . . . . 0.0 110.399 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.52 -15.32 26.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.696 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.8 tpp -83.7 -38.35 21.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.784 0.326 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -150.47 68.15 8.38 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.167 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -76.21 158.87 37.32 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.661 2.24 . . . . 0.0 112.353 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 48.0 m -81.8 -116.88 0.02 OUTLIER 'General case' 0 N--CA 1.439 -1.008 0 CA-C-O 121.202 0.525 . . . . 0.0 110.865 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 C--N 1.315 -0.904 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.055 -179.814 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.516 0 CA-C-O 120.828 0.347 . . . . 0.0 111.054 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.652 HG12 ' HA ' ' A' ' 15' ' ' CYS . 1.4 p -95.51 179.33 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.727 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.644 ' H ' HG22 ' A' ' 2' ' ' VAL . 23.7 mtt180 -79.29 -168.12 1.4 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.822 0.344 . . . . 0.0 111.487 -178.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.879 HD12 ' OD2' ' A' ' 17' ' ' ASP . 3.2 tp -68.05 -36.91 80.67 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.471 -179.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.46 ' CE1' HD23 ' A' ' 4' ' ' LEU . 0.3 OUTLIER -153.28 69.61 0.83 Allowed 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.243 -179.914 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -140.21 169.11 18.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.505 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.4 t -71.06 138.53 49.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.519 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.473 ' O ' ' C ' ' A' ' 9' ' ' LEU . 28.0 p -108.97 -24.02 11.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.379 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.608 HD12 ' O ' ' A' ' 9' ' ' LEU . 1.5 pp 23.96 91.52 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 122.875 0.47 . . . . 0.0 111.972 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 172.78 -23.91 0.08 OUTLIER Glycine 0 CA--C 1.519 0.287 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.942 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 75.26 -52.71 0.66 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.729 0.265 . . . . 0.0 111.583 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.848 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -87.23 9.25 20.78 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.549 0.203 . . . . 0.0 111.549 -179.799 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.848 HG23 ' OE1' ' A' ' 12' ' ' GLN . 24.0 t -105.76 84.95 1.34 Allowed Pre-proline 0 C--N 1.332 -0.194 0 CA-C-O 120.668 0.27 . . . . 0.0 111.084 179.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -70.28 160.12 50.64 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.472 2.115 . . . . 0.0 112.257 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.652 ' HA ' HG12 ' A' ' 2' ' ' VAL . 9.4 t -64.18 141.69 58.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.229 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER -71.74 -6.89 44.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.465 179.666 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.879 ' OD2' HD12 ' A' ' 4' ' ' LEU . 76.7 m-20 -88.69 142.44 30.82 Favored Pre-proline 0 C--O 1.233 0.186 0 CA-C-O 120.835 0.35 . . . . 0.0 111.519 -179.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -55.24 133.95 61.02 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.604 2.203 . . . . 0.0 111.88 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 59.0 15.67 4.14 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.409 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -102.33 134.42 45.65 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.85 0.357 . . . . 0.0 110.801 179.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.6 t -135.49 149.19 49.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -72.27 145.69 47.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.011 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.408 ' CD2' ' HG3' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -141.6 142.31 33.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.593 179.849 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 27.8 m -103.06 133.15 48.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.18 -9.94 59.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.302 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.491 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.06 -156.35 0.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.746 179.732 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.491 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.04 -68.03 0.24 Allowed 'General case' 0 N--CA 1.446 -0.654 0 CA-C-O 120.936 0.398 . . . . 0.0 110.392 179.508 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -156.03 80.24 0.99 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.722 179.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.87 -71.72 0.16 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.753 0.311 . . . . 0.0 111.771 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -83.9 68.57 10.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.045 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.5 m -100.19 111.07 23.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -136.99 167.95 20.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.941 0.401 . . . . 0.0 111.027 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.444 ' HB2' ' CG1' ' A' ' 2' ' ' VAL . 29.3 t -55.39 144.07 26.65 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.601 -179.581 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.408 ' HG3' ' CD2' ' A' ' 23' ' ' TYR . 14.5 ttt180 -135.33 114.88 12.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.362 179.436 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.45 11.79 7.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.839 -179.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 60.49 110.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.19 0.519 . . . . 0.0 111.196 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -80.19 55.44 4.59 Favored Glycine 0 N--CA 1.45 -0.384 0 CA-C-N 115.497 -0.774 . . . . 0.0 112.592 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.6 p -89.49 75.31 7.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.94 0.4 . . . . 0.0 110.557 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.64 -18.7 60.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.486 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.2 mtt -84.95 -34.21 22.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.706 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -150.17 65.98 7.63 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.838 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -79.59 167.41 20.87 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.615 2.21 . . . . 0.0 112.202 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 36.4 m -82.3 -119.34 0.02 OUTLIER 'General case' 0 N--CA 1.436 -1.146 0 CA-C-O 121.233 0.54 . . . . 0.0 110.705 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.316 -0.879 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.927 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.44 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.502 0 CA-C-O 120.741 0.305 . . . . 0.0 110.843 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.53 HG12 ' HB3' ' A' ' 6' ' ' GLU . 2.6 t -94.07 160.75 2.67 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.311 0 CA-C-O 121.031 0.444 . . . . 0.0 111.106 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.63 -169.88 2.36 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.977 -179.589 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.6 tp -68.76 -22.15 64.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.502 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.465 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 0.0 OUTLIER -155.84 71.11 0.73 Allowed 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 120.97 0.414 . . . . 0.0 111.252 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.53 ' HB3' HG12 ' A' ' 2' ' ' VAL . 12.8 tp10 -140.28 156.91 46.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.696 179.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.05 150.47 28.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.235 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 9' ' ' LEU . 7.0 p -111.97 -18.59 12.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.208 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.449 HD12 ' O ' ' A' ' 9' ' ' LEU . 1.3 pp 26.74 93.75 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 122.994 0.518 . . . . 0.0 112.289 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 134.33 -22.99 3.69 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.433 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 72.29 -3.07 2.38 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.401 ' CD ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -95.15 20.32 9.31 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.672 0.272 . . . . 0.0 110.965 179.466 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.463 HG12 ' CG2' ' A' ' 2' ' ' VAL . 13.6 t -142.04 87.87 9.55 Favored Pre-proline 0 C--N 1.331 -0.203 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.205 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -73.33 161.07 43.61 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.564 2.176 . . . . 0.0 112.444 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.1 t -64.7 133.73 52.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.309 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.44 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -73.25 -3.76 28.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.479 179.395 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.516 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -92.45 140.03 24.02 Favored Pre-proline 0 C--O 1.234 0.284 0 CA-C-O 120.911 0.386 . . . . 0.0 111.607 -179.405 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -55.62 134.72 65.66 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.62 2.213 . . . . 0.0 111.769 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.7 t 64.2 13.22 7.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.041 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -106.32 131.16 53.87 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-O 120.801 0.334 . . . . 0.0 110.921 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.8 t -136.2 141.79 44.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.942 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.7 t -73.54 109.74 7.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.068 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.469 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 0.4 OUTLIER -108.18 149.26 28.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.61 179.749 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 8.4 m -101.85 140.76 35.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.18 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.89 -10.44 59.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.104 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.498 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.09 -155.06 0.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.751 179.664 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.498 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.3 -66.71 0.39 Allowed 'General case' 0 N--CA 1.444 -0.746 0 CA-C-O 120.947 0.403 . . . . 0.0 110.428 179.551 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 21.9 p-10 -156.39 83.66 0.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.684 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -150.81 -79.91 0.12 Allowed 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.468 ' CD2' ' CE1' ' A' ' 32' ' ' TYR . 1.8 t80 -84.11 76.76 10.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 111.12 -179.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 12.3 m -101.29 115.08 29.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.158 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.491 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.6 OUTLIER -136.95 160.31 39.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.812 179.788 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.9 t -53.27 140.42 26.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.097 0.475 . . . . 0.0 111.356 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.469 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 2.9 ttt180 -135.87 127.02 28.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.418 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.24 18.68 2.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.898 -179.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 58.94 109.39 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 121.205 0.526 . . . . 0.0 111.276 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.59 56.11 4.46 Favored Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.521 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -89.95 75.49 7.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.934 0.397 . . . . 0.0 110.697 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.98 -17.36 56.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.495 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.1 ttm -84.65 -41.57 16.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.841 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -149.72 73.12 9.68 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.94 158.56 34.56 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.577 2.184 . . . . 0.0 112.363 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 40.0 m -82.21 -117.62 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.093 0 CA-C-O 121.274 0.559 . . . . 0.0 110.93 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.317 -0.808 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.088 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 14' ' ' PRO . 1.9 p . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.754 0.312 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.546 ' CG2' HG12 ' A' ' 13' ' ' VAL . 3.3 t -95.86 165.41 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.458 -179.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.488 ' H ' HG12 ' A' ' 2' ' ' VAL . 3.7 mtp180 -76.68 -163.09 0.3 Allowed 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.867 -179.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.9 tp -67.36 -33.33 75.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.232 -179.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -155.25 52.98 0.62 Allowed 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.42 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -105.33 -178.73 3.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.618 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.6 t -96.9 145.24 26.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.443 ' O ' ' C ' ' A' ' 9' ' ' LEU . 26.8 p -110.05 -22.48 11.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.191 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.61 HD12 ' O ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER 25.25 94.81 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.07 -21.31 5.25 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.532 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 70.93 0.99 3.59 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.77 22.89 6.74 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.6 0.238 . . . . 0.0 110.859 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.546 HG12 ' CG2' ' A' ' 2' ' ' VAL . 30.9 t -141.81 92.29 7.93 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.325 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.432 ' O ' ' HB2' ' A' ' 1' ' ' CYS . 37.9 Cg_endo -68.36 155.5 69.0 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.35 2.034 . . . . 0.0 112.313 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.5 t -66.87 142.06 57.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.446 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 66.4 m -72.13 -8.51 55.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.285 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.587 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 9.8 t70 -97.23 132.77 24.93 Favored Pre-proline 0 C--O 1.235 0.297 0 CA-C-O 120.923 0.392 . . . . 0.0 112.021 -178.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -54.87 139.0 78.51 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.539 2.159 . . . . 0.0 111.402 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.1 t 65.8 9.32 5.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.084 -179.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -104.59 128.18 52.52 Favored 'General case' 0 N--CA 1.457 -0.08 0 CA-C-O 120.831 0.348 . . . . 0.0 110.563 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.2 t -132.2 146.91 52.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.922 0.391 . . . . 0.0 111.044 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.8 t -73.31 144.71 46.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.273 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.463 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 0.3 OUTLIER -147.81 147.53 29.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.581 179.503 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 17.8 m -101.62 132.47 47.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.102 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.06 -9.63 58.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.351 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.501 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -144.53 -155.0 0.57 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.847 179.645 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.501 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.76 -69.88 0.13 Allowed 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 120.929 0.395 . . . . 0.0 110.359 179.526 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -155.75 79.45 1.0 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.624 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.27 -67.92 0.16 Allowed 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.412 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 2.6 m-85 -84.23 65.04 8.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.833 0.349 . . . . 0.0 111.049 -179.539 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 22.7 m -98.01 107.94 20.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.826 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -136.86 168.82 18.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.095 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.409 ' SG ' ' HB1' ' A' ' 20' ' ' ALA . 4.6 t -62.9 147.13 51.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.219 -179.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.463 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 3.3 tmm_? -138.39 119.71 14.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.302 179.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.7 mtpp -84.38 17.76 2.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.81 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 60.07 110.74 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 121.21 0.529 . . . . 0.0 111.139 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.27 54.58 4.3 Favored Glycine 0 N--CA 1.45 -0.384 0 CA-C-N 115.437 -0.801 . . . . 0.0 112.649 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.89 76.1 6.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.934 0.397 . . . . 0.0 110.615 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.55 -17.57 55.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.498 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.58 -40.97 16.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.845 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 -150.08 71.35 9.38 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.945 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -81.4 157.92 19.58 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.646 2.231 . . . . 0.0 112.354 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 45.8 m -82.31 -118.1 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.095 0 CA-C-O 121.166 0.508 . . . . 0.0 110.717 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.315 -0.921 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.104 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 3.1 p . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.998 0.428 . . . . 0.0 111.267 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.635 ' HB ' HG12 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -102.24 170.83 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.909 179.699 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.535 ' O ' HG13 ' A' ' 2' ' ' VAL . 0.2 OUTLIER -80.03 -179.89 7.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.987 -179.44 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.524 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 15.2 tp -71.84 -54.95 8.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -86.06 47.51 1.47 Allowed 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.404 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -142.3 167.08 22.95 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.054 0.454 . . . . 0.0 111.544 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.502 ' HA ' ' HA ' ' A' ' 32' ' ' TYR . 82.4 p -107.16 170.87 7.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.613 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 9' ' ' LEU . 19.5 p -120.78 -11.36 9.01 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.819 -179.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 8' ' ' CYS . 4.9 tp 25.85 84.72 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 133.19 -11.6 5.03 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.654 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.79 15.25 8.9 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.61 0.243 . . . . 0.0 111.432 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.466 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -95.35 -28.92 14.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.776 0.322 . . . . 0.0 111.007 179.643 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.635 HG12 ' HB ' ' A' ' 2' ' ' VAL . 23.5 t -102.81 89.47 1.86 Allowed Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.525 -179.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -67.94 157.19 62.89 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.362 2.041 . . . . 0.0 112.386 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.41 ' HA ' HG12 ' A' ' 2' ' ' VAL . 6.5 t -65.7 142.11 58.13 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.37 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 55.0 m -71.92 -8.33 53.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.424 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.507 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 13.4 t70 -88.13 137.23 31.3 Favored Pre-proline 0 C--O 1.234 0.287 0 CA-C-O 120.968 0.414 . . . . 0.0 111.937 -178.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -55.88 135.42 69.55 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.593 2.195 . . . . 0.0 111.66 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.442 ' O ' HD12 ' A' ' 36' ' ' LEU . 49.2 t 64.37 12.81 7.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.123 -179.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -104.12 105.42 15.58 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 120.967 0.413 . . . . 0.0 110.86 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 t -107.72 157.47 18.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.621 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.4 t -73.41 104.95 4.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.018 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.426 ' HB3' ' HB2' ' A' ' 34' ' ' ARG . 34.7 t80 -96.3 141.05 30.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.758 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 12.6 m -106.86 136.26 47.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.66 -11.05 60.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.222 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.5 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.75 -155.77 0.64 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.801 179.667 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.5 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.44 -66.04 0.51 Allowed 'General case' 0 N--CA 1.445 -0.695 0 CA-C-O 120.86 0.362 . . . . 0.0 110.484 179.536 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 -156.01 83.54 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.703 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -150.56 -76.69 0.14 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.644 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.414 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -84.47 69.09 10.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.969 0.414 . . . . 0.0 111.134 -179.576 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 38.0 m -97.66 108.98 21.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.502 ' HA ' ' HA ' ' A' ' 7' ' ' SER . 4.5 p90 -137.95 177.38 7.92 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.418 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.524 ' HB3' ' O ' ' A' ' 4' ' ' LEU . 53.8 t -51.23 128.14 21.32 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.603 -179.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.426 ' HB2' ' HB3' ' A' ' 23' ' ' TYR . 1.4 tpt180 -141.44 132.18 25.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.41 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -83.6 35.87 0.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.442 HD12 ' O ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER 54.89 107.4 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 121.172 0.51 . . . . 0.0 111.398 179.512 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.25 55.58 1.92 Allowed Glycine 0 N--CA 1.452 -0.275 0 CA-C-N 115.641 -0.708 . . . . 0.0 112.59 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.43 77.77 5.06 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.89 0.376 . . . . 0.0 110.624 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.17 -16.73 47.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.551 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.0 mmt -84.43 -45.98 12.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.867 0.365 . . . . 0.0 110.901 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -150.12 74.59 9.12 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.96 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -84.2 163.0 13.32 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.77 2.314 . . . . 0.0 112.544 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 46.8 m -82.03 -117.44 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.05 0 CA-C-O 121.188 0.518 . . . . 0.0 110.77 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.316 -0.884 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.067 -179.854 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.419 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.431 0 CA-C-O 120.657 0.265 . . . . 0.0 110.892 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.64 HG23 HG12 ' A' ' 13' ' ' VAL . 16.6 t -94.16 160.33 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.909 0.385 . . . . 0.0 110.989 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.491 ' N ' HG12 ' A' ' 2' ' ' VAL . 25.3 mtt180 -79.51 -166.93 1.06 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.259 -179.234 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.443 HD11 ' HE2' ' A' ' 35' ' ' LYS . 1.2 tp -69.93 -24.08 63.31 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.374 -179.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.446 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 0.0 OUTLIER -156.29 70.9 0.69 Allowed 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.001 0.429 . . . . 0.0 111.008 179.811 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -139.13 157.62 45.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.671 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 87.8 p -75.3 153.22 38.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.204 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.736 ' C ' HD23 ' A' ' 9' ' ' LEU . 31.2 p -118.94 0.73 11.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.379 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.736 HD23 ' C ' ' A' ' 8' ' ' CYS . 1.3 pt? 15.57 106.77 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.53 -17.03 34.02 Favored Glycine 0 CA--C 1.519 0.318 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.689 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 67.91 6.98 5.45 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.475 HE21 HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -93.04 17.47 10.75 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.634 0.254 . . . . 0.0 110.874 179.708 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.64 HG12 HG23 ' A' ' 2' ' ' VAL . 31.4 t -141.6 87.96 9.96 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.065 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -67.9 158.84 55.55 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.469 2.113 . . . . 0.0 112.132 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.0 t -64.16 135.17 56.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.296 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.419 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -71.83 -6.43 41.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.312 179.304 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.411 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.5 OUTLIER -86.03 143.33 37.24 Favored Pre-proline 0 CA--C 1.531 0.231 0 CA-C-O 120.843 0.354 . . . . 0.0 111.291 -179.565 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -54.75 133.33 56.75 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.509 2.14 . . . . 0.0 112.016 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 59.12 16.1 4.56 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.644 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -101.72 133.24 46.75 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 120.879 0.371 . . . . 0.0 110.947 179.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.0 t -134.79 141.45 46.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.978 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 45.6 t -73.18 118.11 15.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.045 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.461 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -115.1 155.74 26.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.927 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.4 m -108.89 132.5 53.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.942 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.05 -12.39 60.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.187 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.488 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -146.08 -156.86 0.75 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.888 179.684 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.488 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.61 -66.88 0.37 Allowed 'General case' 0 N--CA 1.446 -0.663 0 CA-C-O 120.857 0.36 . . . . 0.0 110.528 179.576 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -155.09 79.97 1.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.705 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.1 -70.76 0.16 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.487 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -84.51 64.54 8.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.958 0.409 . . . . 0.0 110.961 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 59.8 m -98.42 104.18 16.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.462 ' N ' ' CD1' ' A' ' 32' ' ' TYR . 1.3 p90 -138.3 167.95 20.77 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.967 0.413 . . . . 0.0 111.269 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.5 t -56.15 139.73 46.45 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.492 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.461 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 70.3 ttt180 -139.3 114.54 9.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.293 179.122 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.443 ' HE2' HD11 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -84.46 35.58 0.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.64 -179.452 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 56.88 108.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.198 0.523 . . . . 0.0 111.321 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -72.49 54.74 1.6 Allowed Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.66 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.69 76.23 6.49 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.898 0.38 . . . . 0.0 110.561 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.46 -16.96 52.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.613 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 7.0 ttm -84.36 -41.55 16.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.846 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 62.9 m-20 -150.17 72.5 9.33 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -78.83 169.89 18.85 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.715 2.276 . . . . 0.0 112.245 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 36.9 m -82.59 -119.06 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.088 0 CA-C-O 121.266 0.555 . . . . 0.0 110.687 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.317 -0.835 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.979 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.437 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.489 0 CA-C-O 120.722 0.296 . . . . 0.0 110.96 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.573 HG21 ' HB3' ' A' ' 8' ' ' CYS . 6.8 t -94.34 161.56 2.56 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.281 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.94 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.479 ' N ' HG12 ' A' ' 2' ' ' VAL . 14.2 mtt180 -79.47 -166.78 1.03 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.029 -179.372 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 tp -69.05 -27.95 66.1 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.225 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -155.64 72.53 0.8 Allowed 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 121.056 0.455 . . . . 0.0 111.042 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -139.29 163.86 31.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.705 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.3 p -80.09 149.31 30.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.772 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.573 ' HB3' HG21 ' A' ' 2' ' ' VAL . 7.4 p -109.35 -24.02 11.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.268 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.482 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.3 OUTLIER 22.54 82.09 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.983 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 164.47 -25.03 0.18 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.742 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 77.34 -38.42 0.29 Allowed 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.22 34.76 0.8 Allowed 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 120.685 0.278 . . . . 0.0 111.346 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.9 t -141.35 82.3 14.61 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.003 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.4 ' O ' ' HB3' ' A' ' 1' ' ' CYS . 57.2 Cg_endo -72.64 162.02 42.42 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.5 2.134 . . . . 0.0 112.328 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.5 t -64.25 137.19 57.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.347 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.437 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.72 -5.46 37.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.542 179.37 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.472 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 47.2 m-20 -90.55 143.42 29.13 Favored Pre-proline 0 C--O 1.233 0.201 0 CA-C-O 121.006 0.431 . . . . 0.0 111.757 -179.345 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -56.41 132.45 51.93 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.612 2.208 . . . . 0.0 111.81 179.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.1 t 62.51 16.32 8.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.066 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -105.69 130.68 53.66 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-O 120.786 0.326 . . . . 0.0 110.946 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.9 t -136.82 144.17 43.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.6 t -72.12 128.67 36.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.026 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.455 ' CE1' ' HG3' ' A' ' 34' ' ' ARG . 0.5 OUTLIER -128.7 146.65 50.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.77 179.783 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 7.5 m -100.11 140.37 34.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.0 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 -72.34 -10.56 59.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.322 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.491 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.31 -155.02 0.57 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.816 179.647 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.491 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.05 -65.91 0.52 Allowed 'General case' 0 N--CA 1.445 -0.725 0 CA-C-O 120.903 0.382 . . . . 0.0 110.577 179.622 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -156.8 84.29 0.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.706 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -149.9 -82.57 0.1 Allowed 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -84.98 80.4 9.3 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.884 0.373 . . . . 0.0 111.291 -179.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 9.9 m -102.49 114.66 29.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.065 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.478 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.5 OUTLIER -136.2 163.81 29.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.084 179.895 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.6 t -54.74 141.19 33.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.566 -179.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.455 ' HG3' ' CE1' ' A' ' 23' ' ' TYR . 1.8 tmm_? -139.14 123.52 18.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.304 179.268 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.95 25.37 0.95 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.828 -179.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 56.88 108.29 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 121.15 0.5 . . . . 0.0 111.312 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.68 55.66 3.4 Favored Glycine 0 N--CA 1.452 -0.296 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.583 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.9 p -91.0 75.94 6.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.973 0.416 . . . . 0.0 110.645 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.59 -17.31 54.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.482 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 6.3 ttm -84.76 -38.89 19.09 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.929 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -150.56 71.71 9.0 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.077 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.74 155.82 39.63 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.596 2.198 . . . . 0.0 112.414 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 42.1 m -82.45 -117.98 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.082 0 CA-C-O 121.267 0.556 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.317 -0.841 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.036 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.456 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.463 0 CA-C-O 120.777 0.322 . . . . 0.0 110.898 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.535 HG21 ' HB3' ' A' ' 8' ' ' CYS . 2.8 t -94.14 164.47 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.787 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.451 ' H ' HG12 ' A' ' 2' ' ' VAL . 17.8 mtt180 -78.71 -165.22 0.69 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.055 -179.293 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.0 tp -68.57 -40.95 80.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.032 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -155.63 65.82 0.61 Allowed 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -138.86 169.44 17.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.645 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 67.9 m -61.43 144.82 53.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.773 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.535 ' HB3' HG21 ' A' ' 2' ' ' VAL . 23.9 p -108.82 -23.67 11.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.162 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.446 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.3 OUTLIER 23.42 94.49 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 116.036 -0.529 . . . . 0.0 112.321 179.902 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 163.24 -23.69 0.19 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.775 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 74.03 -54.41 0.68 Allowed 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.598 0.199 . . . . 0.0 111.521 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.851 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -87.59 11.6 14.59 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.594 0.22 . . . . 0.0 111.594 -179.803 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.851 HG23 ' OE1' ' A' ' 12' ' ' GLN . 41.3 t -104.93 86.39 1.49 Allowed Pre-proline 0 C--N 1.332 -0.183 0 CA-C-O 120.715 0.293 . . . . 0.0 111.052 179.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -69.42 161.22 46.74 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.469 2.112 . . . . 0.0 112.198 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.7 t -63.64 140.14 58.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.198 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.456 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -71.87 -5.99 38.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.536 179.772 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.516 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.7 OUTLIER -95.67 138.26 21.81 Favored Pre-proline 0 C--O 1.234 0.25 0 CA-C-O 120.915 0.388 . . . . 0.0 111.554 -179.429 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -54.62 135.17 65.82 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.517 2.145 . . . . 0.0 111.864 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 37.0 t 64.15 13.53 7.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.222 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -106.12 133.88 50.13 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-O 120.726 0.298 . . . . 0.0 110.908 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.8 t -136.4 147.0 47.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 46.1 t -70.6 116.79 11.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.95 0.405 . . . . 0.0 111.206 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -108.76 145.71 34.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.572 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 63.4 m -108.9 126.81 53.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.79 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.408 ' HB3' ' NH1' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -72.71 -12.64 61.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.854 0.359 . . . . 0.0 111.514 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.486 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -146.21 -158.53 0.91 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.926 179.656 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.486 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.85 -65.93 0.53 Allowed 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 120.981 0.419 . . . . 0.0 110.549 179.598 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -155.1 78.42 1.03 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.728 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.06 -69.57 0.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.435 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -84.53 62.45 7.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.933 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 83.2 m -98.56 101.22 12.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.831 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -136.46 164.33 28.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.828 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 10.5 t -53.69 145.06 16.31 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.023 0.439 . . . . 0.0 111.251 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.1 ttt85 -139.26 119.64 13.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.343 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.2 mtpp -84.49 12.36 7.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.699 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 61.03 111.44 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 121.134 0.492 . . . . 0.0 111.18 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.29 54.07 3.55 Favored Glycine 0 N--CA 1.451 -0.325 0 CA-C-N 115.44 -0.8 . . . . 0.0 112.762 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 58.5 p -90.76 77.08 6.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.823 0.344 . . . . 0.0 110.569 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.15 -16.34 43.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.626 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.7 ttm -84.08 -36.8 22.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.785 0.326 . . . . 0.0 110.708 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -150.16 67.74 8.45 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.806 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.68 147.37 27.8 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.631 2.221 . . . . 0.0 112.421 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 39.6 m -82.07 -117.22 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.117 0 CA-C-O 121.188 0.518 . . . . 0.0 110.751 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.2 m . . . . . 0 C--N 1.314 -0.936 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.028 -179.83 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.405 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.435 0 CA-C-O 120.755 0.312 . . . . 0.0 110.91 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.583 HG23 HG12 ' A' ' 13' ' ' VAL . 14.3 t -93.46 162.76 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.908 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.503 ' N ' HG12 ' A' ' 2' ' ' VAL . 15.5 mtt85 -78.66 -164.72 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.201 -179.115 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.617 HD11 ' HE2' ' A' ' 35' ' ' LYS . 2.2 tp -68.55 -29.04 67.51 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.339 -179.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -156.66 75.72 0.86 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.215 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -139.47 162.01 36.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.629 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.1 m -76.47 145.51 39.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.989 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.75 ' C ' HD23 ' A' ' 9' ' ' LEU . 25.4 p -112.35 4.35 17.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.499 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.75 HD23 ' C ' ' A' ' 8' ' ' CYS . 1.2 pt? 15.01 104.36 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.585 0.754 . . . . 0.0 112.994 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.67 -18.11 22.64 Favored Glycine 0 CA--C 1.518 0.26 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.65 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 65.94 11.98 8.08 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.624 0.25 . . . . 0.0 111.418 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.798 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -93.65 -20.41 20.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.705 0.288 . . . . 0.0 110.871 179.636 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.798 HG23 ' OE1' ' A' ' 12' ' ' GLN . 22.8 t -101.34 90.68 1.78 Allowed Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.26 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.411 ' HD3' ' O ' ' A' ' 12' ' ' GLN . 40.0 Cg_endo -67.95 158.59 56.69 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.338 2.025 . . . . 0.0 112.05 179.711 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.444 ' SG ' ' HB1' ' A' ' 20' ' ' ALA . 18.0 t -65.13 134.97 54.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.262 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.405 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.99 -1.4 16.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.806 179.555 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.564 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 23.2 m-20 -96.53 140.73 22.33 Favored Pre-proline 0 C--O 1.234 0.267 0 CA-C-O 120.967 0.413 . . . . 0.0 111.803 -179.22 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -55.74 135.13 67.99 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.643 2.229 . . . . 0.0 111.631 179.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.8 t 63.42 14.23 7.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.811 -179.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.564 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -104.05 125.49 50.43 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-O 120.886 0.374 . . . . 0.0 110.961 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.1 t -131.72 148.7 52.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.728 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.1 t -71.4 116.43 11.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.156 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.407 ' HB3' ' HB2' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -116.11 147.1 41.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.447 179.786 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 19.3 m -106.54 133.56 51.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.956 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.41 ' HB2' ' HB2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -72.99 -10.32 59.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.359 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.489 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.37 -156.55 0.71 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.907 179.601 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.489 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.4 -67.64 0.28 Allowed 'General case' 0 N--CA 1.445 -0.686 0 CA-C-O 120.847 0.356 . . . . 0.0 110.355 179.487 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -155.0 81.23 1.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.716 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.31 -73.2 0.16 Allowed 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.41 ' HB2' ' HB2' ' A' ' 25' ' ' ARG . 68.4 m-85 -83.91 67.24 9.52 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.886 0.374 . . . . 0.0 111.054 -179.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 56.1 m -97.75 105.03 17.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -135.28 171.83 13.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.156 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.0 t -58.77 139.25 56.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.165 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.407 ' HB2' ' HB3' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -141.37 119.17 11.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.362 179.371 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.617 ' HE2' HD11 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -85.35 23.69 1.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.743 -179.664 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 58.73 109.8 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.157 0.503 . . . . 0.0 111.265 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -80.99 54.86 4.76 Favored Glycine 0 N--CA 1.451 -0.308 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.701 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 31.8 p -92.53 78.24 4.96 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-O 120.964 0.412 . . . . 0.0 110.43 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.56 -14.91 22.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.794 -179.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 18.5 ttm -83.1 -39.12 21.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.833 0.349 . . . . 0.0 110.87 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.5 m-20 -151.85 70.28 7.89 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.203 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -73.42 160.27 44.97 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.546 2.164 . . . . 0.0 112.13 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 48.4 m -81.76 -116.81 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.087 0 CA-C-O 121.181 0.515 . . . . 0.0 110.833 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.4 t . . . . . 0 C--N 1.315 -0.892 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.045 -179.768 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.427 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.445 0 CA-C-O 120.705 0.288 . . . . 0.0 110.994 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.543 ' CG2' HG12 ' A' ' 13' ' ' VAL . 5.0 t -93.55 163.4 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.741 179.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.468 ' N ' HG12 ' A' ' 2' ' ' VAL . 40.6 mtt180 -78.54 -165.04 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 -179.187 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.425 HD11 ' HD2' ' A' ' 35' ' ' LYS . 6.1 tp -68.5 -34.94 76.79 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.173 -179.612 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.86 75.33 0.96 Allowed 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.051 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -138.75 165.12 27.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.579 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 52.4 p -75.96 145.21 40.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.98 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 9' ' ' LEU . 31.4 p -108.04 -23.85 11.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.013 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.536 HD12 ' O ' ' A' ' 9' ' ' LEU . 1.4 pp 23.53 94.73 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.12 0.568 . . . . 0.0 112.517 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 146.1 -27.47 1.72 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.466 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 76.48 -23.24 0.25 Allowed 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.608 ' NE2' HG23 ' A' ' 13' ' ' VAL . 0.9 OUTLIER -94.6 32.25 1.63 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.735 0.303 . . . . 0.0 111.049 179.609 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.608 HG23 ' NE2' ' A' ' 12' ' ' GLN . 24.8 t -140.53 83.23 15.19 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.977 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.402 ' O ' ' HB3' ' A' ' 1' ' ' CYS . 45.7 Cg_endo -70.85 158.23 56.1 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.452 2.101 . . . . 0.0 112.291 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.7 t -65.29 137.47 57.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.322 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.427 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.31 -6.29 42.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.36 179.422 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.486 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 4.9 m-20 -91.72 141.33 25.55 Favored Pre-proline 0 C--O 1.234 0.24 0 CA-C-O 120.831 0.348 . . . . 0.0 111.696 -179.355 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -56.48 133.43 57.99 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.608 2.206 . . . . 0.0 111.729 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 45.2 t 63.65 14.33 8.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -105.3 132.03 52.0 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-O 120.753 0.311 . . . . 0.0 110.83 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.9 t -139.98 149.9 43.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.984 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 18.9 t -72.09 133.63 45.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.869 0.366 . . . . 0.0 111.029 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.42 ' HB2' ' HD3' ' A' ' 34' ' ' ARG . 50.8 t80 -139.2 147.77 42.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.566 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.432 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 12.9 m -100.67 135.52 41.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.87 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.3 -10.69 60.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.249 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.5 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.87 -154.83 0.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.918 179.524 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.5 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.98 -67.56 0.28 Allowed 'General case' 0 N--CA 1.445 -0.702 0 CA-C-O 120.901 0.382 . . . . 0.0 110.477 179.559 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -155.4 82.79 1.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.699 179.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.65 -75.84 0.14 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.76 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.432 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 1.8 m-85 -84.1 70.03 10.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.147 -179.375 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 28.9 m -97.65 103.52 15.46 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.966 179.749 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 26.7 p90 -136.28 165.75 25.04 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.121 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.5 t -55.0 146.64 17.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.093 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.42 ' HD3' ' HB2' ' A' ' 23' ' ' TYR . 1.4 ptt85 -137.35 129.27 28.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.375 179.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.425 ' HD2' HD11 ' A' ' 4' ' ' LEU . 5.0 mtpp -84.37 10.46 10.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.633 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.89 110.26 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 121.235 0.54 . . . . 0.0 111.271 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -86.98 54.7 4.59 Favored Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.506 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -89.42 74.74 7.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.842 0.353 . . . . 0.0 110.782 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.23 -18.33 60.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.367 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.3 tpp -84.96 -40.61 16.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.899 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -149.99 71.84 9.46 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.934 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -82.02 164.62 17.59 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.621 2.214 . . . . 0.0 112.28 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 44.7 m -82.15 -117.74 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.068 0 CA-C-O 121.207 0.527 . . . . 0.0 110.731 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--N 1.316 -0.852 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.06 -179.873 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.406 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.504 0 CA-C-O 120.67 0.272 . . . . 0.0 110.834 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.595 HG23 HG12 ' A' ' 13' ' ' VAL . 5.9 t -94.16 162.69 2.37 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.292 0 CA-C-O 120.877 0.37 . . . . 0.0 111.046 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.475 ' N ' HG12 ' A' ' 2' ' ' VAL . 0.7 OUTLIER -78.04 -163.14 0.39 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.989 -179.388 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.1 tp -66.88 -31.9 72.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.153 -179.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -155.23 81.26 1.06 Allowed 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.219 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -139.13 171.55 14.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.505 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 98.4 p -88.63 149.13 23.69 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.909 0.385 . . . . 0.0 111.205 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 9' ' ' LEU . 26.7 p -119.24 -2.84 10.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.293 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.582 ' N ' HD23 ' A' ' 9' ' ' LEU . 0.2 OUTLIER 24.58 97.26 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.486 ' O ' ' CG ' ' A' ' 11' ' ' GLN . . . 111.86 -5.95 27.52 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.973 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.486 ' CG ' ' O ' ' A' ' 10' ' ' GLY . 3.4 pt20 57.51 18.99 4.91 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.312 0.245 . . . . 0.0 111.461 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' ' 10' ' ' GLY . 0.0 OUTLIER -89.74 -24.84 21.43 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 120.943 0.401 . . . . 0.0 110.643 179.526 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.595 HG12 HG23 ' A' ' 2' ' ' VAL . 21.9 t -101.75 92.36 2.84 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.425 -179.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -68.8 158.38 58.06 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.343 2.029 . . . . 0.0 112.18 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.5 t -65.19 133.03 50.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.416 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.406 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.92 -3.89 28.66 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.319 179.296 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.488 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.6 OUTLIER -91.08 141.39 26.39 Favored Pre-proline 0 C--O 1.233 0.231 0 CA-C-O 120.913 0.387 . . . . 0.0 111.615 -179.315 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -55.83 134.26 62.99 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.616 2.21 . . . . 0.0 111.826 179.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.1 t 63.29 14.49 7.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -107.18 130.12 54.76 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-O 120.789 0.328 . . . . 0.0 110.944 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.8 t -136.3 142.71 43.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.798 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.4 t -74.05 125.27 27.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.071 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.471 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 0.3 OUTLIER -131.11 153.29 49.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.705 179.509 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.479 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 6.4 m -99.1 138.68 35.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.139 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.1 -9.15 58.42 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.361 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.533 ' CD2' ' CZ ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -142.99 -157.43 0.77 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.738 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.533 ' CZ ' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.98 -66.56 0.41 Allowed 'General case' 0 N--CA 1.446 -0.674 0 CA-C-O 120.872 0.368 . . . . 0.0 110.378 179.644 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -156.3 83.15 0.99 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.749 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.01 -80.26 0.11 Allowed 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.494 ' CD1' ' CE2' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -84.12 79.44 9.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.855 0.36 . . . . 0.0 111.232 -179.483 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.479 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 7.7 m -102.59 114.39 28.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.062 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.494 ' CE2' ' CD1' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -138.35 166.21 24.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.258 179.852 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.6 t -56.42 141.49 42.01 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.269 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.471 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -138.09 125.57 21.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.268 179.379 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.69 30.73 0.63 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.683 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 54.78 106.24 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 121.07 0.462 . . . . 0.0 111.546 179.577 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.86 57.37 3.08 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.514 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.1 75.89 7.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.913 0.387 . . . . 0.0 110.64 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.46 -17.13 53.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.483 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 48.6 ttm -84.3 -47.4 10.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.832 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 -150.31 78.26 7.88 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.141 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_endo -78.22 165.6 25.57 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.674 2.249 . . . . 0.0 112.242 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 44.8 m -82.24 -117.98 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.095 0 CA-C-O 121.184 0.516 . . . . 0.0 110.844 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--N 1.316 -0.858 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.076 -179.809 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.412 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.51 0 CA-C-O 120.77 0.319 . . . . 0.0 110.788 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.76 HG21 ' HB3' ' A' ' 8' ' ' CYS . 15.4 t -93.27 161.11 2.6 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.22 0 CA-C-O 120.931 0.396 . . . . 0.0 110.69 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.497 ' N ' HG12 ' A' ' 2' ' ' VAL . 46.6 mtt180 -78.73 -165.16 0.68 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.119 -179.127 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.537 HD12 ' OD2' ' A' ' 17' ' ' ASP . 3.6 tp -68.9 -29.43 67.7 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.241 -179.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.529 ' HD2' HD23 ' A' ' 4' ' ' LEU . 63.3 m-70 -154.75 72.46 0.85 Allowed 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.17 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -137.88 164.47 28.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.524 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 36.0 t -84.13 142.39 30.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.887 0.375 . . . . 0.0 111.227 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.76 ' HB3' HG21 ' A' ' 2' ' ' VAL . 16.4 p -110.27 -24.54 10.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.188 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.678 HD12 ' O ' ' A' ' 9' ' ' LEU . 0.6 OUTLIER 26.24 94.2 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.189 0.595 . . . . 0.0 112.366 -179.82 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.19 -27.91 0.89 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.464 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 74.81 -11.87 1.0 Allowed 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.797 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -93.47 -15.94 25.03 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.644 0.259 . . . . 0.0 111.077 179.614 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.797 HG23 ' OE1' ' A' ' 12' ' ' GLN . 32.1 t -104.66 85.37 1.15 Allowed Pre-proline 0 C--N 1.332 -0.186 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.411 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.414 ' HD3' ' O ' ' A' ' 12' ' ' GLN . 58.8 Cg_endo -72.18 164.01 36.95 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.482 2.122 . . . . 0.0 112.151 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.9 t -64.28 137.03 57.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.955 0.407 . . . . 0.0 111.106 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.412 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.17 -5.55 36.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.459 179.684 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.537 ' OD2' HD12 ' A' ' 4' ' ' LEU . 87.3 m-20 -87.61 142.12 32.59 Favored Pre-proline 0 C--O 1.233 0.216 0 CA-C-O 120.865 0.364 . . . . 0.0 111.529 -179.448 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -56.23 133.34 57.45 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.465 2.11 . . . . 0.0 111.613 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.5 t 63.02 15.85 8.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -106.75 128.82 54.55 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.871 0.367 . . . . 0.0 111.166 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.6 t -133.57 156.49 47.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.335 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.84 138.72 50.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.968 0.413 . . . . 0.0 111.166 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -138.79 138.41 37.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.325 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 16.0 m -100.16 134.74 42.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.173 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.57 -10.05 59.32 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.266 179.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -144.58 -156.18 0.67 Allowed 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.636 179.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -67.99 0.24 Allowed 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 120.979 0.418 . . . . 0.0 110.327 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -156.21 81.69 0.99 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.791 179.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.63 -72.78 0.14 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.77 0.319 . . . . 0.0 111.773 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -83.88 69.74 10.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.906 0.384 . . . . 0.0 111.064 -179.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 19.3 m -99.42 110.46 22.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -135.4 175.16 9.84 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 12.6 t -57.13 139.36 52.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.134 0.492 . . . . 0.0 111.453 -179.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.18 112.3 8.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.605 179.265 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.94 30.09 0.53 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -179.11 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 55.97 108.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.316 0.579 . . . . 0.0 111.462 179.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.7 47.61 3.83 Favored Glycine 0 N--CA 1.452 -0.25 0 CA-C-N 115.452 -0.795 . . . . 0.0 112.481 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 37.7 p -91.63 77.88 5.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.352 . . . . 0.0 110.537 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.38 -17.59 44.76 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.417 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 13.8 ttm -84.29 -33.87 23.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.813 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -150.02 63.82 6.48 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.849 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -83.55 158.14 14.41 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.788 2.325 . . . . 0.0 112.39 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 48.7 m -82.29 -118.08 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.047 0 CA-C-O 121.269 0.557 . . . . 0.0 110.703 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 p . . . . . 0 C--N 1.317 -0.825 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.105 -179.884 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.405 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.799 0.333 . . . . 0.0 110.791 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.602 HG23 HG12 ' A' ' 13' ' ' VAL . 12.8 t -93.67 162.24 2.44 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.27 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.84 179.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.501 ' N ' HG12 ' A' ' 2' ' ' VAL . 44.4 mtt180 -78.42 -168.38 1.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.042 -179.194 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.573 HD21 ' NZ ' ' A' ' 35' ' ' LYS . 2.5 tp -67.83 -26.03 65.86 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.218 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.422 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 0.0 OUTLIER -156.64 74.63 0.82 Allowed 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.017 179.667 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -138.29 165.33 26.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.743 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.8 m -80.14 147.96 31.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.059 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.44 ' O ' ' C ' ' A' ' 9' ' ' LEU . 18.9 p -108.92 -11.36 15.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.366 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.462 HD23 ' O ' ' A' ' 9' ' ' LEU . 2.6 tt 24.56 94.59 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.13 0.572 . . . . 0.0 112.447 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.98 -20.79 7.12 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.553 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 68.14 7.23 5.73 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 111.697 0.258 . . . . 0.0 111.697 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.846 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -94.32 -17.56 22.48 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.613 0.244 . . . . 0.0 110.897 179.585 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.846 HG23 ' OE1' ' A' ' 12' ' ' GLN . 24.1 t -101.92 89.22 1.48 Allowed Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.491 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.423 ' HD3' ' O ' ' A' ' 12' ' ' GLN . 42.0 Cg_endo -68.49 159.0 55.32 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.303 2.002 . . . . 0.0 112.227 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.6 t -64.73 134.98 55.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.295 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.405 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.14 -6.33 41.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.24 179.243 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.474 ' OD2' HD12 ' A' ' 4' ' ' LEU . 4.8 m-20 -85.05 143.35 39.68 Favored Pre-proline 0 C--O 1.233 0.237 0 CA-C-O 120.849 0.357 . . . . 0.0 111.391 -179.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -55.09 133.05 55.94 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.612 2.208 . . . . 0.0 111.869 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 57.58 17.35 3.91 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.404 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -102.37 132.58 48.27 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.803 0.335 . . . . 0.0 110.95 179.615 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.3 t -136.15 146.84 47.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.788 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 16.2 t -73.82 137.76 44.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.015 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.476 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -140.87 153.79 45.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.686 179.704 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 13.2 m -102.86 137.16 41.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.088 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.49 -11.42 60.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.175 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.493 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.63 -154.73 0.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.762 179.695 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.493 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.82 -67.42 0.29 Allowed 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 120.848 0.356 . . . . 0.0 110.502 179.64 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -155.95 82.95 1.01 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.754 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.78 -74.99 0.14 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.728 0.299 . . . . 0.0 111.705 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.418 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 3.3 m-85 -84.58 70.64 10.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.091 -179.601 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 24.3 m -99.08 104.53 16.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.422 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -137.89 169.07 18.42 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.003 0.43 . . . . 0.0 111.223 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.5 t -52.98 144.1 15.7 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.873 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.476 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 0.4 OUTLIER -137.78 114.39 10.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.831 179.19 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.573 ' NZ ' HD21 ' A' ' 4' ' ' LEU . 7.4 mtpt -83.93 14.31 4.19 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.811 -179.37 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 mp 61.47 111.2 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 121.162 0.506 . . . . 0.0 111.199 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.1 54.49 4.73 Favored Glycine 0 N--CA 1.45 -0.379 0 CA-C-N 115.391 -0.822 . . . . 0.0 112.652 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 35.4 p -89.54 74.93 7.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.862 0.363 . . . . 0.0 110.493 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.64 -18.47 59.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.406 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -84.7 -32.89 23.3 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.672 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -150.81 67.06 7.72 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.015 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.99 167.57 27.01 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.398 2.066 . . . . 0.0 112.097 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 36.2 m -82.87 -120.35 0.02 OUTLIER 'General case' 0 N--CA 1.434 -1.242 0 CA-C-O 121.281 0.562 . . . . 0.0 110.822 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.315 -0.895 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.124 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.424 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.465 0 CA-C-O 120.784 0.326 . . . . 0.0 110.798 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.548 HG21 ' HB3' ' A' ' 8' ' ' CYS . 8.4 t -94.23 161.64 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.753 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.473 ' N ' HG12 ' A' ' 2' ' ' VAL . 9.9 mmt85 -79.26 -167.25 1.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.098 -179.118 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 tp -69.81 -23.14 63.28 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.628 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.451 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 0.0 OUTLIER -156.06 41.31 0.38 Allowed 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 120.886 0.374 . . . . 0.0 111.397 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.417 ' HB3' ' CG1' ' A' ' 2' ' ' VAL . 4.5 tm-20 -105.37 160.82 14.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.517 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.6 m -81.87 149.18 28.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.94 0.4 . . . . 0.0 111.31 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.548 ' HB3' HG21 ' A' ' 2' ' ' VAL . 23.4 p -111.69 -15.2 13.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.244 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.3 OUTLIER 26.36 95.03 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.67 -20.35 4.89 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.603 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 67.4 8.4 6.25 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.598 0.237 . . . . 0.0 111.562 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.577 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -95.61 -22.62 17.48 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.777 0.322 . . . . 0.0 110.749 179.496 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.577 HG23 ' OE1' ' A' ' 12' ' ' GLN . 38.2 t -101.83 94.59 4.57 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.351 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.414 ' HD3' ' O ' ' A' ' 12' ' ' GLN . 61.3 Cg_endo -74.17 162.24 39.12 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.352 2.035 . . . . 0.0 112.234 179.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.9 t -65.28 136.57 56.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.134 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.424 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.84 -3.11 23.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.666 179.633 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.462 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -91.74 144.32 29.24 Favored Pre-proline 0 C--O 1.234 0.242 0 CA-C-O 120.932 0.396 . . . . 0.0 111.514 -179.396 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -56.31 132.0 49.21 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.61 2.206 . . . . 0.0 111.883 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.8 t 62.81 15.9 8.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.046 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -104.34 128.08 52.09 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.855 0.36 . . . . 0.0 110.972 179.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.5 t -132.35 153.3 50.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.724 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.4 t -71.35 115.95 11.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.939 0.399 . . . . 0.0 111.305 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -108.93 141.11 41.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.484 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 35.4 m -107.34 132.74 52.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.78 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.68 -11.9 60.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.292 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.498 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -146.14 -157.1 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.966 179.637 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.498 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.59 -65.82 0.55 Allowed 'General case' 0 N--CA 1.446 -0.661 0 CA-C-O 120.949 0.404 . . . . 0.0 110.359 179.608 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -155.45 82.12 1.04 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.722 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.75 -75.17 0.14 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.731 0.3 . . . . 0.0 111.614 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -84.24 68.64 10.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.924 0.393 . . . . 0.0 111.107 -179.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 59.0 m -99.34 107.52 19.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -135.49 170.46 15.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.04 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.7 t -56.83 139.43 51.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.079 0.466 . . . . 0.0 111.23 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -140.07 116.87 10.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.211 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.6 21.74 1.45 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.877 -179.55 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 59.57 110.14 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 121.199 0.523 . . . . 0.0 111.16 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.91 54.99 3.86 Favored Glycine 0 N--CA 1.452 -0.253 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.663 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.38 75.21 6.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.92 0.391 . . . . 0.0 110.71 179.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.06 -17.78 58.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.471 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.9 -41.24 16.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.943 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -149.83 72.96 9.62 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.963 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -78.29 160.47 29.31 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.643 2.228 . . . . 0.0 112.393 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 40.7 m -82.13 -117.48 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.066 0 CA-C-O 121.207 0.527 . . . . 0.0 110.98 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.6 m . . . . . 0 C--N 1.316 -0.849 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.103 -179.84 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.868 0.366 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.878 HG21 ' HB3' ' A' ' 8' ' ' CYS . 17.0 t -96.13 162.22 2.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.294 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.522 ' N ' HG12 ' A' ' 2' ' ' VAL . 4.8 mmt85 -76.34 -165.79 0.54 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.826 -179.391 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.5 tp -66.83 -32.48 73.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.488 -179.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -155.29 72.85 0.83 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.105 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.426 ' O ' HG11 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -138.74 161.74 36.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.603 179.881 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 97.2 p -75.42 142.32 43.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.848 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.878 ' HB3' HG21 ' A' ' 2' ' ' VAL . 15.6 p -110.29 -25.81 9.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.211 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.8 OUTLIER 25.13 90.98 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.053 -0.521 . . . . 0.0 112.143 -179.848 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.92 -26.26 0.25 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.548 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.433 ' HG2' ' N ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER 77.12 -37.16 0.26 Allowed 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 111.83 0.308 . . . . 0.0 111.83 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.433 ' N ' ' HG2' ' A' ' 11' ' ' GLN . 0.2 OUTLIER -92.57 36.84 1.0 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.8 0.333 . . . . 0.0 111.25 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.425 HG23 ' OE1' ' A' ' 12' ' ' GLN . 28.7 t -140.93 85.22 12.55 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.013 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -69.59 156.74 62.99 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.492 2.128 . . . . 0.0 112.796 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.407 ' HB3' ' O ' ' A' ' 20' ' ' ALA . 53.4 t -64.26 152.93 39.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.185 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.7 m -73.89 1.88 9.73 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.0 -0.546 . . . . 0.0 112.342 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.54 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.5 OUTLIER -111.44 140.66 23.28 Favored Pre-proline 0 C--O 1.234 0.285 0 CA-C-O 121.145 0.498 . . . . 0.0 111.977 -179.006 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -55.36 137.05 76.31 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.616 2.21 . . . . 0.0 111.541 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.9 t 64.88 11.64 7.13 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 -179.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.54 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -103.17 114.94 29.63 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.924 0.392 . . . . 0.0 110.887 179.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.3 t -115.8 155.56 27.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.0 t -72.36 100.51 2.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.009 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -86.89 131.98 33.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.805 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 56.2 m -99.81 128.73 45.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.24 -9.88 59.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.343 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.489 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -144.6 -156.56 0.71 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.818 179.737 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.489 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.03 -70.11 0.12 Allowed 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 120.935 0.397 . . . . 0.0 110.4 179.503 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -154.93 76.42 1.0 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.67 179.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.46 -66.32 0.16 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.639 -179.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -83.82 65.75 8.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.958 0.409 . . . . 0.0 111.122 -179.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 27.8 m -101.56 116.75 33.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.076 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -137.04 167.77 20.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.851 179.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.5 t -55.71 131.58 46.97 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.924 0.392 . . . . 0.0 110.993 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.56 124.47 17.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.418 179.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.47 ' HE3' ' HB2' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -84.88 31.45 0.54 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.719 -179.771 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 57.95 109.24 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 121.162 0.506 . . . . 0.0 111.304 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.11 55.07 2.71 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.552 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.66 77.05 5.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.872 0.367 . . . . 0.0 110.609 179.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.21 -16.72 47.94 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.514 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 14.0 ttm -84.25 -45.63 12.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.881 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -150.1 75.37 8.97 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.066 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -80.69 162.4 21.53 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.733 2.289 . . . . 0.0 112.443 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 50.7 m -82.24 -117.84 0.02 OUTLIER 'General case' 0 N--CA 1.436 -1.139 0 CA-C-O 121.228 0.537 . . . . 0.0 110.849 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.7 m . . . . . 0 C--N 1.315 -0.909 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.187 -179.847 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.426 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.485 0 CA-C-O 120.679 0.276 . . . . 0.0 110.824 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.632 HG21 ' HB3' ' A' ' 8' ' ' CYS . 9.4 t -93.49 161.15 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.778 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.48 ' N ' HG12 ' A' ' 2' ' ' VAL . 4.3 mtt180 -79.61 -167.52 1.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.124 -179.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.8 tp -69.13 -26.97 65.16 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.142 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -156.1 71.7 0.74 Allowed 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 179.68 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -138.78 162.31 35.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.677 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 62.5 p -78.12 144.77 36.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.895 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.632 ' HB3' HG21 ' A' ' 2' ' ' VAL . 29.3 p -110.64 -20.59 12.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.277 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.449 ' N ' HD23 ' A' ' 9' ' ' LEU . 0.4 OUTLIER 25.26 95.2 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 143.94 -28.26 2.0 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.463 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.13 -7.18 1.56 Allowed 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.897 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -95.22 -12.89 25.51 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-O 120.67 0.272 . . . . 0.0 110.959 179.504 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.897 HG23 ' OE1' ' A' ' 12' ' ' GLN . 23.4 t -103.35 87.16 1.27 Allowed Pre-proline 0 C--O 1.233 0.191 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.373 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.424 ' HD3' ' O ' ' A' ' 12' ' ' GLN . 55.3 Cg_endo -70.29 161.75 44.87 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.446 2.097 . . . . 0.0 112.238 179.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.9 t -64.67 135.07 55.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.963 0.411 . . . . 0.0 111.285 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.426 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.85 -4.72 33.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.403 179.393 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.534 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.4 OUTLIER -93.27 138.95 22.89 Favored Pre-proline 0 C--O 1.234 0.252 0 CA-C-O 120.95 0.405 . . . . 0.0 111.69 -179.299 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -55.01 136.26 72.2 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.559 2.173 . . . . 0.0 111.728 179.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.5 t 64.19 12.67 7.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 -179.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -108.74 132.31 54.09 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-O 120.845 0.355 . . . . 0.0 111.133 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.6 t -138.33 144.13 40.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.445 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.4 t -71.67 147.12 47.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.963 0.411 . . . . 0.0 111.109 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.477 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -156.5 153.76 29.27 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.716 179.717 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 33.5 m -99.55 125.55 45.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.214 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.406 ' HB2' ' HB3' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -73.64 -8.65 56.84 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.495 179.672 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.496 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -144.08 -155.49 0.61 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.926 179.823 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.496 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.59 -71.45 0.09 Allowed 'General case' 0 N--CA 1.445 -0.701 0 CA-C-O 120.955 0.407 . . . . 0.0 110.488 179.639 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.7 p-10 -155.5 74.06 0.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.698 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.99 -58.83 0.14 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.749 0.309 . . . . 0.0 111.696 -179.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.43 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 16.4 m-85 -84.52 57.84 4.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.003 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.477 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 25.1 m -96.66 99.38 10.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 16.3 p90 -138.77 175.97 9.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.426 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.3 t -59.88 143.95 50.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.426 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.469 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -138.84 118.97 13.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.973 179.375 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.42 31.85 0.51 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.917 -179.403 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 55.5 107.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.134 0.492 . . . . 0.0 111.465 179.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.45 56.76 3.74 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.503 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.52 75.74 6.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.89 0.376 . . . . 0.0 110.636 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.7 -16.99 53.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.443 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 5.9 ttm -84.37 -45.51 12.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.831 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -150.45 76.67 8.32 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.088 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -78.76 165.9 24.13 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.634 2.222 . . . . 0.0 112.391 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 50.3 m -82.19 -117.66 0.02 OUTLIER 'General case' 0 N--CA 1.439 -1.023 0 CA-C-O 121.153 0.501 . . . . 0.0 110.78 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.315 -0.904 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.128 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 2.4 p . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.886 0.374 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.677 HG12 ' HB3' ' A' ' 6' ' ' GLU . 0.9 OUTLIER -100.35 168.53 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.123 -179.91 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.445 ' H ' HG12 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -81.65 -176.88 6.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.494 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.537 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 17.9 tp -72.55 -52.85 13.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.859 0.361 . . . . 0.0 111.134 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -92.99 21.33 5.84 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.247 -0.433 . . . . 0.0 112.039 -179.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.677 ' HB3' HG12 ' A' ' 2' ' ' VAL . 21.8 tt0 -108.32 162.87 13.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.175 0.512 . . . . 0.0 111.889 -179.35 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.474 ' O ' HG11 ' A' ' 2' ' ' VAL . 1.6 m -100.71 159.56 15.08 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.632 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.416 ' O ' ' C ' ' A' ' 9' ' ' LEU . 20.5 p -112.16 -23.0 10.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.46 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER 29.44 89.13 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.945 -179.69 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 141.02 -20.71 2.66 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.856 -0.687 . . . . 0.0 112.536 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 70.03 4.52 4.85 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.636 ' NE2' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -98.88 -19.32 17.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.721 0.296 . . . . 0.0 110.952 179.408 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.636 HG23 ' NE2' ' A' ' 12' ' ' GLN . 0.8 OUTLIER -102.92 94.56 5.46 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.299 -179.669 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -73.47 155.47 50.45 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.4 2.067 . . . . 0.0 112.838 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.9 t -66.97 144.55 56.14 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.588 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.8 m -72.88 -10.76 60.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.363 179.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.612 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 1.1 m-20 -84.57 134.84 41.6 Favored Pre-proline 0 C--N 1.331 -0.211 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -178.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -56.51 135.24 69.23 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.522 2.148 . . . . 0.0 111.223 179.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.576 ' O ' HD12 ' A' ' 36' ' ' LEU . 44.1 t 63.33 15.03 8.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.61 -179.089 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.612 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -104.82 110.22 22.49 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-O 120.867 0.365 . . . . 0.0 110.733 179.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 t -112.5 152.31 28.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.61 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.0 t -73.07 121.08 19.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.419 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 10.5 t80 -112.21 139.45 47.74 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.722 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 60.8 m -97.69 118.03 33.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.67 -6.95 49.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.704 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.496 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -143.54 -157.89 0.82 Allowed 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 179.702 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.496 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.2 -70.82 0.1 Allowed 'General case' 0 N--CA 1.445 -0.676 0 CA-C-O 120.958 0.409 . . . . 0.0 110.487 179.683 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -155.39 68.22 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.64 179.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -153.27 -50.57 0.1 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.585 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.412 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 7.0 m-85 -85.39 53.7 2.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.821 0.343 . . . . 0.0 111.11 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 29.3 m -97.83 104.73 16.79 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.449 ' HA ' ' HA ' ' A' ' 7' ' ' SER . 4.2 p90 -136.5 174.5 10.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.519 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.537 ' HB3' ' O ' ' A' ' 4' ' ' LEU . 43.2 t -52.61 131.78 34.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.528 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -137.73 137.18 38.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.188 179.028 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -83.6 33.12 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -179.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.576 HD12 ' O ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER 51.93 104.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.174 0.511 . . . . 0.0 111.696 179.349 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.63 58.18 2.97 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.447 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -89.31 74.89 7.81 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.896 0.379 . . . . 0.0 110.677 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.71 -17.68 56.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.397 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.4 mmt -84.63 -46.64 11.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.765 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -150.36 78.3 7.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.199 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -78.53 165.47 25.08 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.627 2.218 . . . . 0.0 111.956 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 47.4 m -82.56 -119.46 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.115 0 CA-C-O 121.336 0.589 . . . . 0.0 110.755 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.317 -0.807 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.035 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.417 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.504 0 CA-C-O 120.73 0.3 . . . . 0.0 110.916 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.497 HG21 ' HB3' ' A' ' 8' ' ' CYS . 2.8 t -92.96 165.8 1.86 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.266 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.545 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.464 ' H ' HG12 ' A' ' 2' ' ' VAL . 0.2 OUTLIER -78.08 -171.32 2.28 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.058 -179.217 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 27.3 tp -67.77 -35.46 78.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.843 0.354 . . . . 0.0 111.218 -179.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.07 66.74 0.72 Allowed 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.142 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -139.48 160.05 40.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.719 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.0 p -62.31 147.67 47.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.803 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.497 ' HB3' HG21 ' A' ' 2' ' ' VAL . 30.0 p -107.6 -25.73 11.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.212 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.732 HD23 ' O ' ' A' ' 9' ' ' LEU . 8.0 tt 22.59 93.47 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.327 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.05 -24.1 0.28 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.649 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 75.32 -47.92 0.61 Allowed 'General case' 0 N--CA 1.464 0.263 0 O-C-N 122.804 -0.233 . . . . 0.0 111.503 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -90.35 36.83 0.89 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.857 0.361 . . . . 0.0 111.125 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.7 t -137.55 83.47 25.3 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.998 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -72.16 161.14 45.46 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.563 2.175 . . . . 0.0 112.457 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.4 t -64.42 138.25 58.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.304 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.417 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.83 -3.93 28.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.649 179.656 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.576 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.7 OUTLIER -97.14 138.03 21.23 Favored Pre-proline 0 C--O 1.234 0.285 0 CA-C-O 120.917 0.389 . . . . 0.0 111.66 -179.245 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -55.1 136.18 72.03 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.602 2.201 . . . . 0.0 111.683 179.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.408 ' O ' HD12 ' A' ' 36' ' ' LEU . 46.5 t 63.86 13.35 7.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.827 -179.381 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.576 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -106.85 132.34 52.92 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-O 120.856 0.36 . . . . 0.0 110.898 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.8 t -138.87 145.83 40.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.9 t -72.38 115.29 11.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.073 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.448 ' CD1' ' HG3' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -112.9 149.28 33.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.583 179.802 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 34.7 m -105.43 132.51 51.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.892 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.79 -11.67 60.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.308 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.52 ' CD2' ' CZ ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -145.14 -158.72 0.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 179.697 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.52 ' CZ ' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.6 -65.46 0.61 Allowed 'General case' 0 N--CA 1.444 -0.762 0 CA-C-O 120.837 0.351 . . . . 0.0 110.429 179.607 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -154.38 81.85 1.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.759 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.56 -74.98 0.13 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.698 0.285 . . . . 0.0 111.684 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -83.71 68.27 9.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.998 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 56.5 m -99.06 105.12 17.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.96 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -137.04 164.43 28.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.021 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.406 ' SG ' ' HB1' ' A' ' 20' ' ' ALA . 3.6 t -57.06 144.03 36.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.195 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.448 ' HG3' ' CD1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -138.77 130.11 27.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.317 179.622 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.81 20.31 1.84 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.826 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.408 HD12 ' O ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER 58.44 109.07 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.109 0.481 . . . . 0.0 111.339 179.882 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -84.83 50.69 4.44 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.601 -0.727 . . . . 0.0 112.585 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 62.1 p -91.31 77.0 5.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 0.0 110.576 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.29 -17.37 53.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.488 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 6.7 mtp -84.34 -34.97 23.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.897 0.38 . . . . 0.0 110.774 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -150.3 65.84 7.47 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.95 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -79.97 157.58 23.86 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.751 2.3 . . . . 0.0 112.38 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 50.7 m -81.98 -117.69 0.02 OUTLIER 'General case' 0 N--CA 1.439 -0.996 0 CA-C-O 121.268 0.556 . . . . 0.0 110.802 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.317 -0.84 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.003 -179.778 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.447 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 120.823 0.344 . . . . 0.0 110.932 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.86 HG21 ' HB3' ' A' ' 8' ' ' CYS . 13.6 t -95.56 161.74 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.748 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.498 ' N ' HG12 ' A' ' 2' ' ' VAL . 72.9 mtt180 -79.33 -171.88 2.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.113 -179.317 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 tp -67.92 -28.76 67.76 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.346 -179.532 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -155.31 65.41 0.63 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 121.074 0.464 . . . . 0.0 111.176 179.902 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -140.76 156.66 46.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.677 179.73 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.501 ' OG ' HD23 ' A' ' 9' ' ' LEU . 6.2 t -63.54 148.34 49.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.698 179.834 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.86 ' HB3' HG21 ' A' ' 2' ' ' VAL . 29.9 p -109.48 -24.3 11.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.33 -179.742 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.501 HD23 ' OG ' ' A' ' 7' ' ' SER . 0.4 OUTLIER 22.91 91.42 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 122.757 0.423 . . . . 0.0 112.078 -179.866 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.455 ' O ' ' HB2' ' A' ' 11' ' ' GLN . . . 161.52 -19.92 0.19 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.879 -179.82 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.455 ' HB2' ' O ' ' A' ' 10' ' ' GLY . 9.4 mm-40 70.33 -47.14 0.62 Allowed 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -85.41 5.36 31.3 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 -179.628 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.4 t -106.73 83.54 1.28 Allowed Pre-proline 0 C--N 1.331 -0.203 0 CA-C-O 120.758 0.313 . . . . 0.0 111.205 179.94 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -72.17 163.12 39.7 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.474 2.116 . . . . 0.0 112.124 179.783 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.2 t -63.86 140.67 58.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.044 0.45 . . . . 0.0 111.145 -179.91 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.447 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -71.55 -7.49 48.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.358 179.773 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.473 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -85.43 139.95 36.13 Favored Pre-proline 0 CA--C 1.531 0.212 0 CA-C-O 120.842 0.353 . . . . 0.0 111.311 -179.506 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -55.54 132.05 49.82 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.435 2.09 . . . . 0.0 111.9 179.575 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 34.0 t 62.62 16.87 9.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.18 -179.634 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -104.95 136.86 43.65 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.775 0.322 . . . . 0.0 110.945 179.789 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.0 t -136.95 150.77 48.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.929 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 18.8 t -72.38 121.24 19.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.241 -179.838 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -107.64 138.42 43.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.615 179.615 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.6 m -103.69 132.9 49.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.958 -179.829 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.6 -11.34 60.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.253 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.514 ' CD2' ' CZ ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -144.81 -158.69 0.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 179.681 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.514 ' CZ ' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.57 -65.68 0.57 Allowed 'General case' 0 N--CA 1.446 -0.632 0 CA-C-O 120.859 0.362 . . . . 0.0 110.322 179.511 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -155.44 81.47 1.04 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.657 179.566 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.39 -75.12 0.14 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.739 0.304 . . . . 0.0 111.505 -179.707 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -83.74 71.77 10.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.857 0.36 . . . . 0.0 110.941 -179.599 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 38.3 m -102.24 115.21 30.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.126 -179.858 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -137.27 162.77 32.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.54 179.569 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 9.9 t -52.29 139.87 23.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.926 0.393 . . . . 0.0 111.259 -179.848 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.32 127.52 26.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.38 179.625 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.9 mtmt -84.26 12.32 6.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.801 -179.612 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.87 111.74 0.02 OUTLIER 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 121.218 0.532 . . . . 0.0 111.148 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.82 54.02 3.36 Favored Glycine 0 CA--C 1.518 0.219 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.655 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.9 p -91.07 76.88 6.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.86 0.362 . . . . 0.0 110.56 179.827 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.33 -17.28 53.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.453 -179.741 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -83.92 -36.6 23.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.872 0.368 . . . . 0.0 110.866 179.898 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -150.36 67.72 8.3 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -77.77 140.93 18.93 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.611 2.207 . . . . 0.0 112.582 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 37.6 m -82.29 -118.18 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.071 0 CA-C-O 121.179 0.514 . . . . 0.0 110.856 179.909 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.315 -0.899 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.004 -179.85 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.423 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.698 0.285 . . . . 0.0 110.806 . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.568 HG21 ' HB3' ' A' ' 8' ' ' CYS . 9.0 t -92.97 161.89 2.48 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.273 0 CA-C-O 120.85 0.357 . . . . 0.0 110.782 179.84 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.483 ' N ' HG12 ' A' ' 2' ' ' VAL . 57.4 mtt180 -78.82 -167.18 1.04 Allowed 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.102 -179.261 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.678 HD11 ' CE ' ' A' ' 35' ' ' LYS . 8.9 tp -69.58 -27.4 65.08 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.192 -179.803 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -155.5 69.59 0.7 Allowed 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.907 179.821 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -138.47 162.18 35.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.695 179.874 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.0 p -78.85 154.4 29.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 -179.893 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.568 ' HB3' HG21 ' A' ' 2' ' ' VAL . 2.6 p -112.32 -7.81 13.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.343 179.745 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.527 ' N ' HD23 ' A' ' 9' ' ' LEU . 0.3 OUTLIER 24.48 95.21 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -179.994 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 127.67 -24.23 5.23 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.577 179.842 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.55 -5.48 1.98 Allowed 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -179.932 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -94.5 25.47 3.92 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.78 0.324 . . . . 0.0 111.017 179.596 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.474 HG12 HG23 ' A' ' 2' ' ' VAL . 24.5 t -141.31 88.27 10.09 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.25 -179.747 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -68.23 159.82 51.56 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.454 2.103 . . . . 0.0 112.12 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.8 t -63.96 133.67 53.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.268 -179.825 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.423 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.15 -5.69 37.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.215 179.125 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.657 ' OD2' HD12 ' A' ' 4' ' ' LEU . 28.0 m-20 -91.62 136.69 26.3 Favored Pre-proline 0 C--O 1.234 0.282 0 CA-C-O 120.873 0.368 . . . . 0.0 111.502 -179.422 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -54.58 136.13 69.21 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.57 2.18 . . . . 0.0 111.804 179.458 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.5 t 64.71 12.26 7.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.096 -179.438 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -108.96 134.74 51.21 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 120.75 0.309 . . . . 0.0 110.918 179.817 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.6 t -139.71 145.39 38.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.871 0.367 . . . . 0.0 111.078 -179.933 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.1 t -73.8 130.49 40.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.962 179.829 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.463 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 0.5 OUTLIER -132.35 148.79 52.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.78 179.659 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 21.5 m -103.79 132.47 50.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.959 -179.913 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -73.27 -10.44 59.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.346 179.836 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.499 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.6 -155.75 0.64 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.8 179.645 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.499 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.98 -68.44 0.2 Allowed 'General case' 0 N--CA 1.446 -0.659 0 CA-C-O 120.914 0.388 . . . . 0.0 110.308 179.533 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -154.87 81.53 1.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.728 179.584 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.76 -72.68 0.15 Allowed 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 121.0 -0.28 . . . . 0.0 111.71 -179.66 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.411 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -83.95 66.0 8.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.932 0.396 . . . . 0.0 111.049 -179.61 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 39.9 m -97.47 103.94 15.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.684 179.806 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.453 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 1.3 p90 -137.71 163.94 30.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.936 0.398 . . . . 0.0 111.465 -179.717 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.8 t -56.44 145.28 28.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.285 -179.729 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.463 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 2.1 ttt180 -137.4 128.3 27.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.542 179.553 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.678 ' CE ' HD11 ' A' ' 4' ' ' LEU . 2.2 mtpm? -84.43 14.75 4.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.778 -179.729 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.82 110.94 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 121.167 0.508 . . . . 0.0 111.056 179.833 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.87 54.42 3.79 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.712 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 39.5 p -91.38 76.39 5.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.929 0.395 . . . . 0.0 110.621 179.73 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.47 -17.68 55.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.544 -179.793 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.9 mtp -84.34 -35.19 23.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.745 179.956 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 16.8 m-20 -150.04 66.9 8.2 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.86 147.36 30.74 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.56 2.173 . . . . 0.0 112.443 -179.936 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 39.4 m -82.01 -117.41 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.092 0 CA-C-O 121.236 0.541 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.316 -0.868 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.042 -179.791 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.9 p . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.702 0.286 . . . . 0.0 111.321 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.567 HG23 HG12 ' A' ' 13' ' ' VAL . 5.6 t -95.54 162.69 2.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 -179.779 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.484 ' N ' HG12 ' A' ' 2' ' ' VAL . 83.3 mtt180 -78.64 -166.42 0.87 Allowed 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.069 -179.588 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.3 tp -69.51 -25.64 64.14 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.615 -179.55 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.4 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 0.0 OUTLIER -155.13 70.42 0.75 Allowed 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 120.892 0.377 . . . . 0.0 111.319 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.458 ' O ' HG11 ' A' ' 2' ' ' VAL . 8.8 tp10 -140.08 158.96 43.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.564 179.576 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.6 152.38 31.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.258 -179.623 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.51 ' HB3' HG21 ' A' ' 2' ' ' VAL . 31.2 p -112.95 -11.62 13.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.366 179.863 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.48 ' N ' HD23 ' A' ' 9' ' ' LEU . 0.2 OUTLIER 27.07 95.73 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.083 0.553 . . . . 0.0 112.384 -179.924 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.461 ' O ' ' CG ' ' A' ' 11' ' ' GLN . . . 120.61 -5.35 11.73 Favored Glycine 0 C--N 1.33 0.22 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.62 -179.931 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.461 ' CG ' ' O ' ' A' ' 10' ' ' GLY . 7.8 pt20 51.7 20.65 1.16 Allowed 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.576 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -100.51 -23.75 14.63 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.859 0.361 . . . . 0.0 110.754 179.304 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.576 HG23 ' OE1' ' A' ' 12' ' ' GLN . 34.8 t -99.77 100.89 12.06 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.553 -179.79 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -75.72 160.81 37.42 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.266 1.977 . . . . 0.0 112.14 179.592 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.3 t -65.29 144.96 56.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.299 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 66.2 m -72.52 -5.18 35.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.854 -179.933 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.54 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.9 OUTLIER -99.13 139.68 21.16 Favored Pre-proline 0 C--O 1.233 0.229 0 CA-C-O 121.105 0.479 . . . . 0.0 111.995 -178.881 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -55.65 137.76 79.06 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.476 2.117 . . . . 0.0 111.515 179.204 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.8 t 65.17 10.26 6.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.052 -179.201 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.54 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -105.48 122.33 45.77 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 120.991 0.424 . . . . 0.0 110.818 179.743 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 t -126.64 161.0 29.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.678 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.3 t -71.81 107.36 4.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.239 -179.614 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -95.42 136.42 35.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.586 179.615 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.8 m -109.97 134.72 51.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.953 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.59 -13.69 61.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.31 179.932 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.5 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -146.68 -156.03 0.68 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.973 179.663 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.5 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.57 -64.93 0.71 Allowed 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 120.929 0.395 . . . . 0.0 110.568 179.652 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -155.68 83.86 1.03 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.644 179.656 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -149.95 -78.0 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.498 -179.765 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -84.73 69.18 10.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.942 0.401 . . . . 0.0 110.926 -179.806 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 66.9 m -98.79 107.39 19.82 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.985 -179.869 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.442 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 1.2 p90 -135.7 166.41 23.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 179.834 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.9 t -53.55 137.69 35.91 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.005 0.431 . . . . 0.0 111.23 -179.695 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -141.32 122.84 15.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.326 179.44 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.99 22.67 1.13 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.791 -179.655 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 58.71 109.26 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.325 0 CA-C-O 121.213 0.53 . . . . 0.0 111.258 179.755 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.48 55.92 4.42 Favored Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 115.527 -0.761 . . . . 0.0 112.633 179.898 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.02 75.86 7.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.881 0.372 . . . . 0.0 110.558 179.885 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.59 -17.52 55.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.332 -179.8 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 32.5 tpp -84.2 -44.75 13.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.825 179.894 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -150.03 75.2 9.07 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.986 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -80.53 164.05 21.33 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.654 2.236 . . . . 0.0 112.315 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 48.5 m -82.16 -117.42 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.056 0 CA-C-O 121.218 0.532 . . . . 0.0 110.695 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.6 p . . . . . 0 C--N 1.316 -0.864 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.993 -179.77 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.415 ' HB3' ' O ' ' A' ' 14' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.474 0 CA-C-O 120.791 0.329 . . . . 0.0 110.841 . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.903 HG21 ' HB3' ' A' ' 8' ' ' CYS . 13.6 t -94.6 161.75 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.0 179.779 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.5 ' N ' HG12 ' A' ' 2' ' ' VAL . 84.2 mtt180 -78.98 -169.23 1.72 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.124 -179.182 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 tp -69.04 -23.24 64.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.547 -179.587 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.462 ' N ' ' CD2' ' A' ' 5' ' ' HIS . 0.0 OUTLIER -156.07 67.94 0.61 Allowed 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 120.972 0.415 . . . . 0.0 111.07 179.846 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.474 ' O ' HG11 ' A' ' 2' ' ' VAL . 0.6 OUTLIER -139.62 159.6 41.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.752 179.863 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 79.5 p -75.83 144.22 41.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.774 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.903 ' HB3' HG21 ' A' ' 2' ' ' VAL . 27.8 p -108.99 -24.31 11.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.225 -179.912 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.503 HD12 ' O ' ' A' ' 9' ' ' LEU . 1.1 pp 23.59 87.09 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.166 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 165.59 -29.12 0.2 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.429 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 78.19 -30.5 0.16 Allowed 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.411 ' O ' ' HD3' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -90.58 -5.56 55.77 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.535 0.207 . . . . 0.0 111.317 179.818 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.6 t -105.82 83.32 1.01 Allowed Pre-proline 0 C--N 1.332 -0.195 0 CA-C-O 120.677 0.275 . . . . 0.0 111.233 -179.926 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.415 ' O ' ' HB3' ' A' ' 1' ' ' CYS . 59.2 Cg_endo -72.66 164.91 34.24 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.455 2.103 . . . . 0.0 112.039 179.866 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.0 t -63.22 137.25 58.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.947 0.404 . . . . 0.0 111.121 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.411 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -71.37 -6.43 40.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.393 179.624 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.447 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.4 OUTLIER -85.09 140.32 36.95 Favored Pre-proline 0 CA--C 1.531 0.249 0 CA-C-O 120.849 0.356 . . . . 0.0 111.234 -179.451 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -54.65 131.96 48.77 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.579 2.186 . . . . 0.0 112.072 179.65 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 23.4 t 63.03 16.35 9.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.351 179.934 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -104.51 136.53 43.89 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.838 0.351 . . . . 0.0 111.016 179.887 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.3 t -135.12 151.12 50.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.84 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.8 t -72.83 119.25 16.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.146 -179.861 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -108.51 137.66 46.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.585 179.588 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 57.8 m -100.11 127.03 46.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.03 -179.825 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.96 -9.62 58.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.507 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.524 ' CD2' ' CZ ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -143.92 -158.45 0.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 179.651 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.524 ' CZ ' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.42 -68.6 0.2 Allowed 'General case' 0 N--CA 1.445 -0.695 0 CA-C-O 120.86 0.362 . . . . 0.0 110.41 179.592 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -155.16 75.48 0.95 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.681 179.57 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -153.09 -63.98 0.15 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.668 -179.799 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -84.3 64.31 8.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.08 -179.73 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 31.9 m -100.66 112.1 24.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 179.907 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -136.07 169.36 17.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.706 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 13.3 t -55.37 138.25 46.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.065 0.459 . . . . 0.0 111.143 -179.83 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -137.0 111.91 8.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.297 179.517 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.46 19.66 1.88 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.874 -179.49 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 60.8 111.53 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 121.212 0.529 . . . . 0.0 111.038 179.879 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.27 53.45 3.1 Favored Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 115.441 -0.8 . . . . 0.0 112.782 -179.942 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.5 p -90.87 76.08 6.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.863 0.364 . . . . 0.0 110.681 179.675 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.28 -18.0 56.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.476 -179.794 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.6 mpp? -84.8 -38.26 19.79 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.801 179.888 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -150.11 78.02 8.13 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.992 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.27 165.04 33.8 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.444 2.096 . . . . 0.0 112.31 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 34.4 m -82.5 -118.89 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.117 0 CA-C-O 121.259 0.552 . . . . 0.0 110.806 -179.939 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.316 -0.878 0 CA-C-N 115.349 -0.842 . . . . 0.0 111.005 -179.789 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.445 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 120.832 0.348 . . . . 0.0 110.834 . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.527 HG21 ' HB3' ' A' ' 8' ' ' CYS . 3.1 t -93.96 164.59 2.06 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.645 179.659 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.447 ' N ' HG12 ' A' ' 2' ' ' VAL . 24.4 mtt180 -78.08 -164.37 0.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.076 -179.226 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.7 tp -68.38 -35.71 78.1 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.333 -179.479 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.84 39.42 0.43 Allowed 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.196 179.825 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -104.77 167.58 9.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.658 179.637 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 28.0 m -68.06 150.04 48.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.782 179.96 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.823 ' C ' HD23 ' A' ' 9' ' ' LEU . 16.8 p -109.13 -23.22 11.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.219 -179.851 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.823 HD23 ' C ' ' A' ' 8' ' ' CYS . 1.6 pt? 17.15 99.13 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.284 0.634 . . . . 0.0 112.569 -179.832 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 154.31 -22.84 0.66 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.631 -179.873 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 74.43 -48.3 0.65 Allowed 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -180.0 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -90.47 36.8 0.89 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.845 0.355 . . . . 0.0 111.16 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.6 t -137.03 84.54 24.82 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.0 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -71.24 162.17 43.36 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.562 2.175 . . . . 0.0 112.397 179.947 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.1 t -63.85 140.28 58.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.402 -179.821 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.445 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.52 -5.77 39.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.523 179.511 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.493 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.8 OUTLIER -95.02 140.37 22.42 Favored Pre-proline 0 C--O 1.234 0.237 0 CA-C-O 120.93 0.395 . . . . 0.0 111.681 -179.27 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -55.62 134.55 64.61 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.614 2.209 . . . . 0.0 111.887 179.505 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.9 t 64.08 13.09 7.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.023 -179.536 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -106.49 134.04 50.25 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.745 0.307 . . . . 0.0 110.889 179.711 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.4 t -140.07 156.02 46.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.6 t -71.77 145.54 48.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.879 0.371 . . . . 0.0 111.006 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.404 ' HB2' ' CD ' ' A' ' 34' ' ' ARG . 57.0 t80 -145.02 134.69 23.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.552 179.933 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 12.6 m -98.83 136.87 38.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.959 -179.865 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.54 -10.73 60.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.208 179.704 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.491 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.4 -154.25 0.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.844 179.591 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.491 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.89 -67.56 0.28 Allowed 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 120.851 0.358 . . . . 0.0 110.42 179.573 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 -156.13 83.5 1.0 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.802 179.63 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.11 -77.55 0.13 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.779 0.289 . . . . 0.0 111.779 -179.745 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.418 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . 14.3 m-85 -83.9 73.06 10.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.805 0.336 . . . . 0.0 111.171 -179.488 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.1 m -100.58 113.94 27.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.36 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.418 ' CE2' ' HB3' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -136.41 166.35 23.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.694 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.3 t -61.28 147.54 44.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.354 -179.794 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.404 ' CD ' ' HB2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -140.55 126.92 19.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.226 179.213 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.87 15.03 4.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.804 -179.499 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.06 110.89 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.325 0 CA-C-O 121.164 0.507 . . . . 0.0 111.022 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -84.42 51.6 4.58 Favored Glycine 0 N--CA 1.451 -0.358 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.684 -179.79 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 29.6 p -91.47 75.92 5.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.816 0.341 . . . . 0.0 110.594 179.771 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.56 -18.76 60.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.415 -179.874 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 10.5 tpp -84.8 -33.22 23.0 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.803 179.927 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -150.11 65.22 7.27 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.927 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -79.02 154.58 25.74 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.651 2.234 . . . . 0.0 112.366 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 41.5 m -81.8 -117.38 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.057 0 CA-C-O 121.282 0.563 . . . . 0.0 110.825 179.937 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 53.1 p . . . . . 0 C--N 1.317 -0.832 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.129 -179.845 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.446 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.467 0 CA-C-O 120.831 0.348 . . . . 0.0 110.88 . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.499 HG21 ' HB3' ' A' ' 8' ' ' CYS . 2.6 t -94.09 166.61 1.76 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.629 179.699 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.498 ' H ' HG12 ' A' ' 2' ' ' VAL . 54.9 mtt180 -77.71 -162.4 0.31 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.971 -179.326 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.693 HD11 ' HD3' ' A' ' 35' ' ' LYS . 35.4 tp -66.99 -44.15 81.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.67 -179.045 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -156.54 75.54 0.86 Allowed 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 120.777 0.322 . . . . 0.0 111.655 -179.826 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.49 ' HG3' HG12 ' A' ' 2' ' ' VAL . 0.3 OUTLIER -141.69 176.0 9.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.662 179.452 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 25.5 p -70.75 138.33 50.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.66 179.76 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.499 ' HB3' HG21 ' A' ' 2' ' ' VAL . 28.5 p -109.01 -26.67 10.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.36 -179.797 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.463 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.3 OUTLIER 23.83 91.68 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.085 -179.958 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 170.65 -25.25 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.855 -179.836 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 75.42 -50.7 0.64 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.645 0.223 . . . . 0.0 111.542 -179.948 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.37 9.32 20.97 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.592 0.219 . . . . 0.0 111.592 -179.752 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.3 t -106.27 83.72 1.21 Allowed Pre-proline 0 C--N 1.332 -0.186 0 CA-C-O 120.631 0.253 . . . . 0.0 111.09 179.776 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.433 ' O ' ' HB3' ' A' ' 1' ' ' CYS . 46.8 Cg_endo -70.57 158.87 54.63 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.458 2.105 . . . . 0.0 112.295 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.3 t -65.75 138.72 58.13 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.455 -179.927 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.446 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -73.11 -4.68 34.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.497 179.581 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.585 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 9.2 t70 -99.3 133.86 21.7 Favored Pre-proline 0 C--O 1.235 0.321 0 CA-C-O 120.938 0.399 . . . . 0.0 111.869 -178.918 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -54.5 139.16 75.22 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.573 2.182 . . . . 0.0 111.678 179.26 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.441 ' O ' HD12 ' A' ' 36' ' ' LEU . 45.6 t 64.72 9.61 5.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.013 -179.257 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.585 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -107.31 132.01 53.59 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-O 120.834 0.35 . . . . 0.0 110.94 179.721 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 t -138.42 146.61 42.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.987 -179.807 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.6 t -74.45 120.51 20.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.906 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.466 ' CD1' ' HB3' ' A' ' 34' ' ' ARG . 3.5 p90 -116.92 141.56 48.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.546 179.615 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 29.7 m -99.02 130.94 45.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.167 -179.791 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.06 -9.81 59.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.361 179.796 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.506 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -144.32 -154.89 0.56 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.879 179.753 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.506 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.77 -70.37 0.11 Allowed 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 120.928 0.394 . . . . 0.0 110.434 179.497 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -155.97 78.11 0.97 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.631 179.468 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.5 -66.76 0.16 Allowed 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 -179.722 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -84.15 65.65 8.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.944 0.402 . . . . 0.0 111.077 -179.489 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 17.4 m -99.84 114.03 26.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.046 179.924 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.438 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -137.29 159.72 41.1 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.813 179.704 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.533 ' SG ' ' HB1' ' A' ' 20' ' ' ALA . 7.8 t -63.6 142.14 58.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.018 0.437 . . . . 0.0 111.433 -179.713 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.466 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -140.18 134.37 31.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.229 178.972 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.693 ' HD3' HD11 ' A' ' 4' ' ' LEU . 0.6 OUTLIER -85.36 28.02 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.73 -179.566 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.441 HD12 ' O ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER 57.24 108.31 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.17 0.509 . . . . 0.0 111.3 179.973 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.49 55.78 4.42 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.716 -179.85 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 63.2 p -92.04 77.78 5.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.866 0.365 . . . . 0.0 110.404 179.653 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.61 -15.51 28.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.62 -179.763 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 11.7 mtm -83.82 -40.14 19.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.678 179.911 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -150.86 74.39 8.55 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.173 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -74.71 158.58 43.18 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.546 2.164 . . . . 0.0 112.262 179.742 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 55.5 m -81.87 -117.5 0.02 OUTLIER 'General case' 0 N--CA 1.439 -0.994 0 CA-C-O 121.245 0.545 . . . . 0.0 110.808 179.937 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.4 m . . . . . 0 C--N 1.316 -0.879 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.045 -179.785 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.892 0.377 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.661 HG23 HG12 ' A' ' 13' ' ' VAL . 11.4 t -96.54 162.11 2.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.294 -179.888 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.501 ' N ' HG12 ' A' ' 2' ' ' VAL . 8.3 mtt85 -78.25 -164.51 0.55 Allowed 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 -179.528 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.666 HD12 ' OD2' ' A' ' 17' ' ' ASP . 3.1 tp -67.16 -26.83 66.85 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.293 -179.619 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -156.36 75.23 0.86 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.976 179.814 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.434 ' O ' HG11 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -137.58 161.57 36.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.689 179.765 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.3 p -81.68 148.16 29.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.079 -179.867 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.441 ' HB3' HG21 ' A' ' 2' ' ' VAL . 26.5 p -111.91 -13.23 13.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.337 179.914 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER 25.79 94.01 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.074 0.549 . . . . 0.0 112.296 -179.925 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.45 -17.92 7.81 Favored Glycine 0 CA--C 1.518 0.28 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.554 179.938 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 68.6 5.93 5.15 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 -179.806 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.405 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -95.75 20.13 10.27 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.675 0.274 . . . . 0.0 110.952 179.515 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.661 HG12 HG23 ' A' ' 2' ' ' VAL . 24.0 t -142.03 89.64 8.72 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.33 -179.763 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -69.36 159.5 53.48 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.503 2.135 . . . . 0.0 112.284 179.849 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.9 t -64.3 145.31 56.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.105 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.7 m -71.46 -8.4 53.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.554 179.856 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.666 ' OD2' HD12 ' A' ' 4' ' ' LEU . 63.1 m-20 -88.88 141.43 29.72 Favored Pre-proline 0 C--O 1.234 0.285 0 CA-C-O 121.061 0.458 . . . . 0.0 111.636 -179.194 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -55.39 136.71 74.92 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.583 2.189 . . . . 0.0 111.694 179.519 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER 61.05 12.57 4.06 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.609 -179.775 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -103.92 133.04 49.56 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-O 120.875 0.369 . . . . 0.0 110.895 179.622 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.1 t -134.13 156.14 48.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.811 -179.875 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 10.6 t -72.23 123.12 22.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 179.961 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -119.33 149.07 42.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.615 179.816 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.0 m -107.63 132.88 52.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.981 -179.834 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.46 -9.9 59.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.337 179.714 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -143.85 -158.11 0.85 Allowed 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.738 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -55.89 -67.67 0.27 Allowed 'General case' 0 N--CA 1.446 -0.669 0 CA-C-O 120.905 0.383 . . . . 0.0 110.422 179.527 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.1 p-10 -155.76 80.18 1.01 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.694 179.427 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.01 -71.38 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.974 -0.291 . . . . 0.0 111.644 -179.731 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.19 66.73 9.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.893 -179.718 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 47.4 m -98.3 107.1 19.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -137.0 173.82 11.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.154 179.828 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -54.78 136.58 46.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.259 -179.839 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.32 116.55 11.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.37 179.32 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.425 ' HG2' ' HB2' ' A' ' 20' ' ' ALA . 19.3 mtpt -84.64 23.84 1.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.731 -179.521 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 59.57 110.49 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 121.27 0.557 . . . . 0.0 111.251 179.817 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -78.74 54.65 4.14 Favored Glycine 0 N--CA 1.451 -0.301 0 CA-C-N 115.399 -0.819 . . . . 0.0 112.602 -179.87 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 62.3 p -91.18 76.99 6.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 110.452 179.85 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.15 -17.02 50.72 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.534 -179.815 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 15.2 ttm -84.28 -35.55 23.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.778 179.845 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -150.38 66.97 7.99 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -77.68 162.81 29.76 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.521 2.147 . . . . 0.0 112.335 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 38.0 m -82.3 -118.48 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.103 0 CA-C-O 121.216 0.531 . . . . 0.0 110.718 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.316 -0.855 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.079 -179.895 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.421 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.445 0 CA-C-O 120.88 0.371 . . . . 0.0 110.917 . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.501 HG12 ' H ' ' A' ' 3' ' ' ARG . 2.1 t -96.5 166.29 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.856 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.501 ' H ' HG12 ' A' ' 2' ' ' VAL . 3.1 mtt85 -79.42 -164.59 0.65 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.866 -179.708 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.445 HD23 ' HD2' ' A' ' 5' ' ' HIS . 4.2 tp -68.89 -31.52 70.51 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.148 -179.686 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.445 ' HD2' HD23 ' A' ' 4' ' ' LEU . 63.4 m-70 -155.46 71.42 0.77 Allowed 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.215 179.882 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.473 ' O ' HG11 ' A' ' 2' ' ' VAL . 32.8 tp10 -140.22 160.19 40.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.924 179.906 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.2 t -77.14 151.62 35.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.744 179.749 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.515 ' O ' ' CB ' ' A' ' 9' ' ' LEU . 2.7 p -110.36 -42.87 4.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.009 -179.957 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.515 ' CB ' ' O ' ' A' ' 8' ' ' CYS . 12.0 tp 92.67 116.94 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.762 179.873 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 61.55 17.47 53.66 Favored Glycine 0 CA--C 1.517 0.171 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.897 179.892 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 47.01 28.01 0.82 Allowed 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 179.885 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -90.62 7.8 37.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.314 179.79 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.6 t -142.97 99.55 5.51 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.166 -179.963 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.407 ' O ' ' HB3' ' A' ' 1' ' ' CYS . 40.1 Cg_endo -67.78 160.49 48.07 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.246 1.964 . . . . 0.0 112.033 179.813 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.4 t -63.88 137.73 58.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.3 -179.82 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.421 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.03 -6.71 44.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.378 179.417 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.477 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.9 OUTLIER -87.92 142.75 32.48 Favored Pre-proline 0 C--O 1.233 0.234 0 CA-C-O 120.899 0.38 . . . . 0.0 111.619 -179.321 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -55.68 133.66 59.4 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.605 2.203 . . . . 0.0 111.926 179.525 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.2 t 63.1 14.57 7.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.182 -179.434 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -108.26 133.64 52.21 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.865 0.364 . . . . 0.0 110.975 179.773 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.1 t -136.98 148.17 46.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.755 -179.941 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -73.06 113.59 10.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.924 179.948 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.49 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -113.52 152.47 30.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.848 179.791 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 18.2 m -105.82 137.58 43.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.124 -179.873 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.89 -11.35 60.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.358 179.78 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.496 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.81 -155.78 0.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.823 179.654 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.496 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.42 -66.08 0.5 Allowed 'General case' 0 N--CA 1.445 -0.715 0 CA-C-O 121.008 0.432 . . . . 0.0 110.395 179.535 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -156.18 83.02 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.704 179.691 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.66 -77.26 0.13 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.698 0.285 . . . . 0.0 111.671 -179.744 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -84.05 72.07 10.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.066 -179.596 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 35.1 m -99.34 107.4 19.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.057 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.475 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.9 OUTLIER -136.72 171.85 13.88 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.21 179.885 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.2 t -55.54 139.33 44.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.653 -179.562 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.49 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -137.42 112.82 9.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.128 179.322 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.69 19.36 1.67 Allowed 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -179.339 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 59.91 110.89 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 121.234 0.54 . . . . 0.0 111.281 179.699 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -84.67 51.36 4.55 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.433 -0.803 . . . . 0.0 112.607 -179.935 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.4 p -91.21 76.43 6.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.855 0.36 . . . . 0.0 110.651 179.828 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.63 -17.52 55.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.552 -179.757 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.4 ttm -84.59 -35.91 22.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.73 179.85 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -150.16 66.31 7.81 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 179.924 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -81.41 157.24 19.42 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.728 2.285 . . . . 0.0 112.506 -179.926 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 45.6 m -81.76 -116.77 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.062 0 CA-C-O 121.213 0.53 . . . . 0.0 110.799 179.903 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.1 p . . . . . 0 C--N 1.316 -0.868 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.005 -179.948 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 14' ' ' PRO . 1.9 p . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.74 0.305 . . . . 0.0 111.245 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.484 HG12 ' H ' ' A' ' 3' ' ' ARG . 2.1 t -96.13 165.85 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.056 0.455 . . . . 0.0 111.416 -179.624 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.484 ' H ' HG12 ' A' ' 2' ' ' VAL . 13.5 mtt180 -78.14 -168.12 1.21 Allowed 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.855 -179.619 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.6 tp -68.74 -34.58 75.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.768 0.318 . . . . 0.0 111.347 -179.497 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.92 71.63 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.164 179.937 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -140.37 164.66 29.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.766 179.793 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.6 t -82.5 143.29 31.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.702 179.846 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.417 ' HB3' ' CG2' ' A' ' 2' ' ' VAL . 20.9 p -117.48 -30.15 5.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.496 -179.653 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.613 HD12 ' O ' ' A' ' 9' ' ' LEU . 1.2 pp 29.33 41.29 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.99 -179.464 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 8' ' ' CYS . . . -126.41 -11.88 3.61 Favored Glycine 0 CA--C 1.52 0.367 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.925 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 71.41 -58.08 0.59 Allowed 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 179.735 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.727 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -88.34 14.12 10.23 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -179.27 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.727 HG23 ' OE1' ' A' ' 12' ' ' GLN . 38.5 t -105.49 86.46 1.75 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 120.614 0.245 . . . . 0.0 111.189 179.604 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.401 ' O ' ' HB2' ' A' ' 1' ' ' CYS . 43.2 Cg_endo -69.65 157.51 60.35 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.379 2.053 . . . . 0.0 112.521 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.7 t -65.51 145.44 56.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.358 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.2 m -72.32 -6.33 42.46 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.777 179.838 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.501 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -98.95 142.18 24.16 Favored Pre-proline 0 C--O 1.233 0.232 0 CA-C-O 121.087 0.47 . . . . 0.0 112.003 -178.916 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_endo -56.81 135.93 73.49 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.53 2.153 . . . . 0.0 111.579 179.388 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.4 t 64.55 10.93 6.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 -179.339 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -104.16 131.0 51.9 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 120.781 0.324 . . . . 0.0 110.656 179.485 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.9 t -135.25 148.89 49.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.766 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.14 120.11 17.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.968 179.943 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -122.22 152.7 39.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.882 179.868 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 39.2 m -110.26 131.01 55.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.217 -179.734 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.5 ttp180 -73.96 -12.14 60.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.33 179.622 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.511 ' CD2' ' CZ ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -144.82 -158.73 0.92 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.754 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.511 ' CZ ' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.82 -66.44 0.45 Allowed 'General case' 0 N--CA 1.445 -0.708 0 CA-C-O 121.054 0.454 . . . . 0.0 110.489 179.675 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -154.68 78.91 1.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.734 179.693 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.61 -66.68 0.16 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.811 0.339 . . . . 0.0 111.302 -179.916 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.425 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 7.0 m-85 -84.65 59.13 5.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.741 -179.915 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 65.0 m -96.82 101.28 12.85 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.246 -179.62 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -139.77 171.71 13.83 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.925 179.474 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.1 t -57.33 145.09 33.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.119 0.485 . . . . 0.0 111.521 -179.574 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.414 ' HD3' ' HA ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -136.43 113.59 10.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.178 179.509 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.92 6.63 15.25 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -179.039 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.414 ' HA ' ' HD3' ' A' ' 34' ' ' ARG . 0.4 OUTLIER 61.21 111.1 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.295 0.569 . . . . 0.0 111.226 179.775 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -92.67 51.52 2.64 Favored Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 115.285 -0.871 . . . . 0.0 112.535 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.9 p -91.66 77.75 5.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.857 0.36 . . . . 0.0 110.512 179.729 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.41 -17.47 44.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.574 -179.725 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.5 ttm -84.04 -30.76 25.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.885 0.374 . . . . 0.0 110.639 179.785 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -150.31 61.39 4.8 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.831 179.919 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_endo -78.52 154.49 27.56 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.645 2.23 . . . . 0.0 112.325 -179.954 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 44.0 m -81.56 -116.35 0.02 OUTLIER 'General case' 0 N--CA 1.439 -1.013 0 CA-C-O 121.129 0.49 . . . . 0.0 110.96 179.929 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--N 1.316 -0.862 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.987 -179.757 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.4 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 120.836 0.351 . . . . 0.0 111.053 . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.723 HG22 ' HB3' ' A' ' 6' ' ' GLU . 0.3 OUTLIER -95.27 -175.31 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.587 179.661 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.564 ' N ' HG13 ' A' ' 2' ' ' VAL . 29.2 mtt180 -81.08 -165.43 0.92 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.911 0.386 . . . . 0.0 111.439 -179.07 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.8 tp -70.1 -28.84 65.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.279 -179.572 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -154.74 44.83 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.219 -179.931 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.723 ' HB3' HG22 ' A' ' 2' ' ' VAL . 5.9 tt0 -104.98 162.61 13.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.637 179.546 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.3 m -82.72 149.63 27.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.087 -179.797 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 9' ' ' LEU . 6.8 p -112.0 -12.46 13.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.341 179.911 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.487 ' N ' HD23 ' A' ' 9' ' ' LEU . 0.3 OUTLIER 26.45 93.91 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 179.998 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 125.02 -17.23 7.16 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.458 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 68.79 7.03 5.89 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.787 0.292 . . . . 0.0 111.787 179.93 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.479 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -94.93 17.49 13.71 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.697 0.284 . . . . 0.0 111.042 179.49 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.479 HG23 ' OE1' ' A' ' 12' ' ' GLN . 39.2 t -142.28 87.01 9.74 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.215 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -68.63 159.61 52.9 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.466 2.111 . . . . 0.0 112.105 179.802 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.561 ' HA ' HG12 ' A' ' 2' ' ' VAL . 13.0 t -64.43 133.81 53.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.296 -179.832 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER -73.3 -1.67 18.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.587 179.443 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.5 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 10.7 m-20 -93.68 142.37 25.03 Favored Pre-proline 0 CA--C 1.53 0.207 0 CA-C-O 120.936 0.398 . . . . 0.0 111.579 -179.454 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -55.5 133.46 58.22 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.587 2.191 . . . . 0.0 111.847 179.627 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 35.0 t 62.89 15.28 8.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 -179.547 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -105.56 132.11 52.12 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 120.705 0.288 . . . . 0.0 110.777 179.735 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.5 t -135.83 143.13 44.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.936 0.398 . . . . 0.0 111.033 -179.819 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.8 t -73.44 111.69 8.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.02 179.868 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.459 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -115.87 156.02 26.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.727 179.847 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 13.0 m -104.29 138.13 41.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.081 -179.715 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.07 -10.49 59.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.293 179.73 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.489 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.24 -155.0 0.57 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.725 179.678 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.489 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.85 -68.54 0.19 Allowed 'General case' 0 N--CA 1.447 -0.601 0 CA-C-O 120.888 0.375 . . . . 0.0 110.36 179.536 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -155.97 81.48 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.673 179.58 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.01 -73.19 0.15 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.738 0.304 . . . . 0.0 111.689 -179.728 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.421 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.4 OUTLIER -83.93 70.5 10.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.973 -179.601 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 23.3 m -99.48 108.62 21.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.272 -179.911 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -138.43 164.6 28.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.682 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -53.46 140.4 28.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.296 -179.666 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.459 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 2.5 tmm_? -140.47 120.81 13.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.47 179.277 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -84.81 25.62 0.91 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.542 -179.829 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 60.46 111.38 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 121.191 0.52 . . . . 0.0 111.052 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -78.86 51.33 3.78 Favored Glycine 0 N--CA 1.453 -0.198 0 CA-C-N 115.385 -0.825 . . . . 0.0 112.884 -179.851 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.749 HG23 ' HA ' ' A' ' 42' ' ' PRO . 0.8 OUTLIER -93.76 78.53 4.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.936 0.398 . . . . 0.0 110.417 179.566 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.01 -15.17 28.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.767 -179.678 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -83.65 -37.35 22.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.85 0.357 . . . . 0.0 110.844 179.88 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 -150.34 67.0 8.04 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.987 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.749 ' HA ' HG23 ' A' ' 38' ' ' THR . 74.5 Cg_endo -75.25 151.47 38.44 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.668 2.245 . . . . 0.0 112.479 -179.866 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 37.8 m -82.46 -118.71 0.02 OUTLIER 'General case' 0 N--CA 1.436 -1.134 0 CA-C-O 121.295 0.569 . . . . 0.0 110.837 179.888 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.315 -0.893 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.027 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.424 ' HB3' ' O ' ' A' ' 14' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.505 0 CA-C-O 120.901 0.381 . . . . 0.0 110.911 . . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.787 HG23 HG12 ' A' ' 13' ' ' VAL . 24.4 t -96.73 158.25 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.028 179.684 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.475 ' N ' HG12 ' A' ' 2' ' ' VAL . 29.0 mtp180 -80.33 -175.94 5.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.071 -179.498 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.489 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 13.5 tp -71.93 -63.13 1.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.043 -179.958 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.432 ' CD2' ' HG ' ' A' ' 4' ' ' LEU . 8.7 m-70 -85.35 48.48 1.58 Allowed 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.305 -179.789 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -142.1 161.44 37.99 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.16 0.505 . . . . 0.0 111.7 -179.709 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.498 ' HA ' ' HA ' ' A' ' 32' ' ' TYR . 0.8 OUTLIER -99.09 159.51 14.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.187 179.32 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.508 ' CB ' HG21 ' A' ' 2' ' ' VAL . 10.8 p -111.58 -34.44 6.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.691 0.282 . . . . 0.0 111.251 -179.848 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.432 HD23 ' HB3' ' A' ' 7' ' ' SER . 0.7 OUTLIER 27.38 41.96 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.178 -179.742 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 8' ' ' CYS . . . -136.23 -7.74 1.68 Allowed Glycine 0 CA--C 1.521 0.411 0 C-N-CA 120.667 -0.777 . . . . 0.0 113.298 -179.649 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 70.35 -58.73 0.54 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 117.031 0.415 . . . . 0.0 111.48 -179.967 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -91.24 36.02 0.93 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.274 -179.752 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.787 HG12 HG23 ' A' ' 2' ' ' VAL . 20.4 t -140.52 79.05 20.85 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.875 0.369 . . . . 0.0 111.121 179.816 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.424 ' O ' ' HB3' ' A' ' 1' ' ' CYS . 66.5 Cg_endo -75.93 164.21 32.03 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.489 2.126 . . . . 0.0 112.229 179.934 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 t -63.91 138.69 58.58 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.013 0.435 . . . . 0.0 111.111 -179.925 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.46 -7.49 47.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.277 179.433 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.567 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 27.2 t70 -80.57 135.54 52.93 Favored Pre-proline 0 CA--C 1.532 0.253 0 CA-C-O 120.852 0.358 . . . . 0.0 111.45 -179.487 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -53.22 134.93 58.52 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.602 2.201 . . . . 0.0 111.801 179.646 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.453 ' O ' HD12 ' A' ' 36' ' ' LEU . 49.1 t 61.25 18.45 9.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.74 -179.593 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.567 ' HB3' ' HB3' ' A' ' 17' ' ' ASP . . . -123.78 118.87 28.16 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-O 120.921 0.391 . . . . 0.0 111.316 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.432 HG23 ' NE ' ' A' ' 34' ' ' ARG . 9.9 t -126.02 169.08 13.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.141 179.621 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.8 t -70.83 142.73 51.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.022 0.439 . . . . 0.0 111.182 -179.769 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.433 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 47.8 t80 -139.07 138.22 36.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.59 179.906 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.424 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 15.1 m -105.87 133.52 50.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.725 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.62 -10.78 60.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.312 179.792 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.491 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.94 -155.5 0.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.851 179.601 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.491 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.13 -66.43 0.43 Allowed 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 120.88 0.371 . . . . 0.0 110.491 179.628 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -155.97 83.26 1.01 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.729 179.58 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.2 -74.65 0.15 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.692 -179.77 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.424 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.2 OUTLIER -84.1 66.28 9.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.939 0.4 . . . . 0.0 111.057 -179.582 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.433 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 40.9 m -96.68 104.24 16.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 179.871 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.498 ' HA ' ' HA ' ' A' ' 7' ' ' SER . 3.7 p90 -137.47 -179.99 6.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.901 0.381 . . . . 0.0 111.526 -179.897 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.489 ' HB3' ' O ' ' A' ' 4' ' ' LEU . 45.4 t -52.01 136.47 29.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.756 -179.609 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.432 ' NE ' HG23 ' A' ' 21' ' ' THR . 0.0 OUTLIER -139.82 125.08 18.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.037 179.682 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.8 mtmt -84.72 40.81 0.82 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.736 -179.53 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.453 HD12 ' O ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER 49.98 103.62 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.263 0.554 . . . . 0.0 111.812 179.644 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -80.12 57.42 4.62 Favored Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.436 179.662 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -91.15 76.89 6.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.838 0.352 . . . . 0.0 110.7 179.962 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.41 -17.46 54.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.381 -179.827 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.6 mmt -84.42 -46.51 11.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.838 179.876 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -150.35 75.26 8.79 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -85.01 167.93 10.78 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.784 2.323 . . . . 0.0 112.429 -179.931 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 43.2 m -81.6 -117.94 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.052 0 CA-C-O 121.237 0.541 . . . . 0.0 110.653 179.872 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.6 t . . . . . 0 C--N 1.316 -0.868 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.047 -179.907 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 14' ' ' PRO . 2.1 p . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.898 0.38 . . . . 0.0 111.274 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.658 HG21 ' HB3' ' A' ' 8' ' ' CYS . 3.5 t -96.82 162.41 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.132 -179.939 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.452 ' N ' HG12 ' A' ' 2' ' ' VAL . 0.4 OUTLIER -79.61 -168.26 1.51 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.904 -179.598 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.9 tp -69.1 -23.56 64.02 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.359 -179.739 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.423 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 0.0 OUTLIER -155.47 66.72 0.63 Allowed 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 120.966 0.413 . . . . 0.0 111.057 179.92 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.583 ' O ' HG11 ' A' ' 2' ' ' VAL . 18.4 tp10 -139.36 160.55 39.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.665 179.798 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.4 ' HA ' ' HA ' ' A' ' 32' ' ' TYR . 20.8 p -76.08 151.81 36.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.127 -179.804 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.658 ' HB3' HG21 ' A' ' 2' ' ' VAL . 20.1 p -111.03 -11.71 14.28 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.244 179.808 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 8' ' ' CYS . 7.0 tp 25.19 96.04 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.16 0.584 . . . . 0.0 112.575 -179.909 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 127.92 -24.04 5.19 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.489 179.8 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.54 3.33 4.15 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -179.865 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.635 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -95.51 -17.51 21.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.754 0.311 . . . . 0.0 110.934 179.502 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.635 HG23 ' OE1' ' A' ' 12' ' ' GLN . 39.8 t -100.0 96.59 5.03 Favored Pre-proline 0 C--N 1.332 -0.19 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.191 -179.719 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.4 ' O ' ' HB2' ' A' ' 1' ' ' CYS . 55.9 Cg_endo -70.93 161.28 46.64 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.41 2.073 . . . . 0.0 112.151 179.751 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.0 t -65.0 146.19 55.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.269 179.986 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 93.2 m -71.89 -8.59 55.31 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.581 179.832 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.493 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 1.5 t70 -93.7 138.45 22.85 Favored Pre-proline 0 C--O 1.234 0.254 0 CA-C-O 121.017 0.437 . . . . 0.0 111.814 -178.96 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -55.55 136.28 73.26 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.55 2.166 . . . . 0.0 111.677 179.234 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 46.6 t 65.54 10.84 6.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.263 -179.409 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -105.79 130.2 53.82 Favored 'General case' 0 N--CA 1.457 -0.084 0 CA-C-O 120.843 0.354 . . . . 0.0 110.69 179.621 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.6 t -133.27 162.66 31.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.687 -179.856 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.5 t -70.75 146.59 49.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.959 0.409 . . . . 0.0 111.187 -179.785 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.432 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 10.6 t80 -144.21 133.98 23.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.505 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 34.8 m -99.87 128.59 45.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.958 -179.891 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.401 ' HB2' ' CB ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -72.83 -10.58 59.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.358 179.779 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.494 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -146.13 -154.57 0.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.93 179.7 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.494 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.81 -69.64 0.14 Allowed 'General case' 0 N--CA 1.445 -0.702 0 CA-C-O 120.889 0.376 . . . . 0.0 110.429 179.658 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -155.02 79.33 1.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.783 179.544 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -153.36 -66.21 0.15 Allowed 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.725 -179.704 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.406 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 3.7 m-85 -83.43 59.7 5.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.833 0.349 . . . . 0.0 111.098 -179.618 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.432 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 32.7 m -96.67 104.63 16.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.906 179.892 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.4 ' HA ' ' HA ' ' A' ' 7' ' ' SER . 7.2 p90 -136.06 175.91 9.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.445 -179.908 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.3 t -58.5 142.49 48.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.303 -179.68 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.412 ' HD3' ' HB2' ' A' ' 23' ' ' TYR . 3.6 ttp180 -140.13 118.03 11.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.134 179.433 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.55 20.08 1.81 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.822 -179.409 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 60.57 111.12 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 121.161 0.505 . . . . 0.0 111.037 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.26 53.89 3.52 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.906 -179.91 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.76 75.32 6.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.815 0.34 . . . . 0.0 110.587 179.763 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.82 -17.62 56.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.493 -179.771 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 25.8 ttm -84.61 -42.38 15.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.847 179.93 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.7 m-20 -149.91 73.09 9.54 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.941 179.969 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -79.92 156.84 23.83 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.626 2.217 . . . . 0.0 112.336 -179.932 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 41.8 m -81.89 -117.37 0.02 OUTLIER 'General case' 0 N--CA 1.439 -0.999 0 CA-C-O 121.229 0.538 . . . . 0.0 110.861 179.901 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.7 m . . . . . 0 C--N 1.315 -0.903 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.065 -179.747 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.416 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.466 0 CA-C-O 120.783 0.325 . . . . 0.0 110.873 . . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.591 HG22 HG12 ' A' ' 13' ' ' VAL . 3.0 t -92.79 165.48 1.91 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.288 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.524 179.568 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.471 ' H ' HG12 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -77.99 -169.42 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.092 -179.19 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.9 tp -67.33 -34.06 76.57 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.531 -179.39 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -155.39 72.19 0.8 Allowed 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.208 179.842 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -140.26 162.44 35.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.815 179.868 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.8 t -73.77 146.46 44.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.69 179.862 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.519 ' HB3' HG21 ' A' ' 2' ' ' VAL . 21.3 p -109.74 -25.04 10.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.298 -179.849 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.462 ' C ' ' O ' ' A' ' 8' ' ' CYS . 4.3 tp 24.37 88.19 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.106 -179.943 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.98 -25.28 0.23 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.56 -179.76 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 76.55 -37.58 0.29 Allowed 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.01 34.89 0.84 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.663 0.268 . . . . 0.0 111.072 179.991 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.591 HG12 HG22 ' A' ' 2' ' ' VAL . 28.4 t -142.74 82.21 12.59 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.744 0.307 . . . . 0.0 111.203 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -73.26 161.41 42.99 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.615 2.21 . . . . 0.0 112.455 -179.999 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.3 t -65.16 135.99 56.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.445 -179.943 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.416 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -73.62 -2.6 23.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.695 179.445 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.606 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 16.4 t70 -98.03 137.82 20.9 Favored Pre-proline 0 C--O 1.234 0.287 0 CA-C-O 120.986 0.422 . . . . 0.0 111.82 -179.038 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -54.47 137.9 73.22 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.562 2.174 . . . . 0.0 111.623 179.396 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 41.8 t 63.68 12.09 6.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.872 -179.174 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.606 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -108.0 130.84 55.03 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 120.857 0.36 . . . . 0.0 110.976 179.806 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.5 t -138.51 137.71 37.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.685 -179.923 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 11.9 t -73.58 112.38 9.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 179.936 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.475 ' CD1' ' HG3' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -119.06 156.05 30.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.406 179.743 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.443 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 14.2 m -100.42 132.34 45.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.026 -179.737 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.29 -9.07 58.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.325 179.925 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.49 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -144.43 -154.81 0.55 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.788 179.782 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.49 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.51 -70.58 0.1 Allowed 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 120.972 0.415 . . . . 0.0 110.388 179.511 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -155.77 78.21 0.98 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.756 179.483 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.79 -65.29 0.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -179.721 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.443 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 7.4 m-85 -84.3 63.4 7.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.84 0.352 . . . . 0.0 111.125 -179.492 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 19.4 m -96.63 104.87 16.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.947 179.835 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -138.61 163.15 32.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.27 -179.871 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 1.7 t -57.7 136.71 56.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.156 -179.885 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.475 ' HG3' ' CD1' ' A' ' 23' ' ' TYR . 4.6 mmt-85 -138.57 126.59 22.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.32 179.237 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.61 33.91 0.52 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.838 -179.485 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 57.41 109.2 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.226 0.536 . . . . 0.0 111.205 179.766 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -78.79 54.05 4.1 Favored Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.758 179.921 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 70.0 p -92.94 77.86 4.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.893 0.378 . . . . 0.0 110.472 179.776 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.65 -16.34 37.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.539 -179.851 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -84.38 -37.95 20.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.946 179.784 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -150.45 71.93 9.09 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.193 -179.95 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -75.98 159.48 37.75 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.642 2.228 . . . . 0.0 112.424 179.935 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 53.8 m -82.25 -117.29 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.074 0 CA-C-O 121.239 0.542 . . . . 0.0 110.83 179.954 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.317 -0.835 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.154 -179.817 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.426 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 120.775 0.322 . . . . 0.0 110.8 . . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.537 HG21 ' HB3' ' A' ' 8' ' ' CYS . 4.5 t -93.02 163.13 2.28 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.313 0 CA-C-O 120.892 0.377 . . . . 0.0 110.695 179.769 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.47 ' N ' HG12 ' A' ' 2' ' ' VAL . 14.1 mtt85 -78.7 -164.6 0.6 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.147 -179.131 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.0 tp -68.55 -29.27 67.8 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.156 -179.455 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -155.69 46.08 0.48 Allowed 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.884 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.456 ' O ' HG11 ' A' ' 2' ' ' VAL . 32.2 tp10 -106.43 158.19 17.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.804 179.776 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 57.0 p -74.54 146.12 42.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.071 179.956 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.537 ' HB3' HG21 ' A' ' 2' ' ' VAL . 31.2 p -110.7 -22.07 11.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.221 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 8' ' ' CYS . 27.1 tp 25.67 92.64 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.317 -179.852 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 143.7 -26.99 2.08 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.419 179.94 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 73.4 -7.69 1.49 Allowed 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 111.957 0.355 . . . . 0.0 111.957 -179.995 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.416 ' O ' ' HD3' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -91.61 -15.3 28.8 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 120.686 0.279 . . . . 0.0 111.108 179.747 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.46 HG12 ' CG2' ' A' ' 2' ' ' VAL . 22.0 t -102.91 87.95 1.37 Allowed Pre-proline 0 C--N 1.332 -0.18 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.664 -179.714 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.416 ' HD3' ' O ' ' A' ' 12' ' ' GLN . 51.9 Cg_endo -70.06 160.9 47.98 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.428 2.085 . . . . 0.0 112.178 179.712 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.414 ' SG ' ' HB1' ' A' ' 20' ' ' ALA . 11.9 t -64.97 135.32 55.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.286 -179.947 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.426 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.93 -3.89 28.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.49 179.483 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.499 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -94.89 140.58 22.56 Favored Pre-proline 0 CA--C 1.532 0.264 0 CA-C-O 120.919 0.39 . . . . 0.0 111.698 -179.24 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -55.72 134.82 66.26 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.572 2.181 . . . . 0.0 111.749 179.558 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.2 t 64.24 13.2 7.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.111 -179.535 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -105.37 130.7 53.42 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.907 0.385 . . . . 0.0 111.045 179.679 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.6 t -136.68 143.7 43.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.791 -179.986 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.3 t -73.75 135.24 43.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.239 -179.9 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.496 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 1.5 p90 -132.48 142.3 49.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.563 179.519 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 21.4 m -97.07 131.36 43.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.293 -179.575 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.47 -8.98 58.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.272 179.633 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.499 ' CE1' ' CE1' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -144.02 -154.41 0.53 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.711 179.685 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.499 ' CE1' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.37 -71.54 0.08 Allowed 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 120.92 0.391 . . . . 0.0 110.361 179.626 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -155.91 77.32 0.95 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.682 179.431 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.8 -64.19 0.16 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.68 0.276 . . . . 0.0 111.711 -179.669 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.4 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 3.9 m-85 -84.29 64.64 8.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.806 0.336 . . . . 0.0 111.085 -179.581 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 8.6 m -99.96 116.08 31.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.227 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.483 ' N ' ' CD1' ' A' ' 32' ' ' TYR . 0.5 OUTLIER -139.31 160.02 40.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.135 179.774 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.5 t -57.72 143.29 42.32 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.413 -179.662 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.496 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 39.6 ttt85 -140.12 128.05 22.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.442 179.256 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.04 27.15 0.79 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.744 -179.723 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 57.79 109.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.16 0.505 . . . . 0.0 111.271 179.93 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.12 55.06 3.56 Favored Glycine 0 N--CA 1.453 -0.189 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.516 179.98 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.2 p -91.96 77.21 5.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.905 0.383 . . . . 0.0 110.658 179.696 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.13 -16.93 49.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.469 -179.842 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 5.8 mtt -84.45 -38.05 20.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.853 179.908 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -150.35 73.21 9.15 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.099 179.977 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.82 152.65 37.25 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.67 2.246 . . . . 0.0 112.377 179.985 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 43.6 m -82.23 -117.21 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.081 0 CA-C-O 121.11 0.481 . . . . 0.0 111.036 179.916 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.4 t . . . . . 0 C--N 1.316 -0.86 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.123 -179.75 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.407 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 120.81 0.338 . . . . 0.0 110.833 . . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.534 ' CG2' HG12 ' A' ' 13' ' ' VAL . 6.5 t -93.46 162.48 2.39 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.289 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.718 179.77 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.475 ' N ' HG12 ' A' ' 2' ' ' VAL . 17.4 mmt85 -78.59 -165.08 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 -179.19 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.9 tp -68.53 -29.73 68.38 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.095 -179.781 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -155.47 75.47 0.93 Allowed 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.024 179.801 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -136.82 168.08 20.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.539 179.874 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 38.7 t -86.07 145.21 27.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.156 -179.835 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.653 ' C ' HD23 ' A' ' 9' ' ' LEU . 20.5 p -110.23 -16.6 13.72 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.282 179.973 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.653 HD23 ' C ' ' A' ' 8' ' ' CYS . 0.6 OUTLIER 26.18 95.4 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -179.897 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 131.08 -22.13 4.53 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.471 179.906 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 68.88 4.88 4.69 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 111.573 0.212 . . . . 0.0 111.573 -179.76 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.697 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -93.77 -19.41 21.08 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.69 0.281 . . . . 0.0 110.823 179.668 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.697 HG23 ' OE1' ' A' ' 12' ' ' GLN . 33.5 t -102.85 87.85 1.33 Allowed Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.303 -179.828 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.425 ' HD3' ' O ' ' A' ' 12' ' ' GLN . 45.9 Cg_endo -69.44 159.66 52.8 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.378 2.052 . . . . 0.0 112.202 179.811 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.8 t -64.86 135.86 56.22 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.257 -179.924 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.407 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.55 -5.63 38.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.339 179.288 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.472 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.8 OUTLIER -87.84 143.38 33.38 Favored Pre-proline 0 C--O 1.233 0.234 0 CA-C-O 120.867 0.365 . . . . 0.0 111.636 -179.407 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_endo -56.55 132.0 49.15 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.706 2.271 . . . . 0.0 111.822 179.513 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.473 ' SG ' HD13 ' A' ' 36' ' ' LEU . 48.8 t 62.24 16.36 8.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 -179.447 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -105.88 130.73 53.79 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.77 0.319 . . . . 0.0 111.134 179.796 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.471 HG22 ' NE ' ' A' ' 34' ' ' ARG . 0.3 OUTLIER -137.57 160.06 40.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.504 179.985 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.6 t -72.35 151.7 42.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.047 0.451 . . . . 0.0 111.079 -179.846 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.4 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 87.1 t80 -155.47 138.36 15.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.557 179.908 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 22.1 m -98.75 131.8 44.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.123 -179.83 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.89 -10.29 59.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.013 0.435 . . . . 0.0 111.312 179.783 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.492 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.26 -155.15 0.59 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.847 179.634 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.492 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.96 -68.29 0.22 Allowed 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 120.987 0.422 . . . . 0.0 110.427 179.518 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -155.84 80.77 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.769 179.635 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.86 -70.74 0.15 Allowed 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -179.705 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.405 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 1.5 m-85 -84.22 66.31 9.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.856 0.36 . . . . 0.0 111.144 -179.46 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 27.9 m -97.84 104.24 16.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.648 179.814 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -134.11 177.9 7.38 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.473 -179.749 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.9 t -68.43 138.79 55.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.571 -179.483 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.471 ' NE ' HG22 ' A' ' 21' ' ' THR . 0.0 OUTLIER -142.04 119.29 11.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.375 178.766 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -83.19 49.71 1.6 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.265 -0.425 . . . . 0.0 112.118 -178.734 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.473 HD13 ' SG ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER 48.55 103.75 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.221 0.534 . . . . 0.0 111.832 179.365 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -71.37 56.48 1.18 Allowed Glycine 0 C--N 1.322 -0.222 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.66 179.755 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.01 76.51 4.72 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.782 0.325 . . . . 0.0 110.738 179.817 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.64 -17.45 55.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.387 -179.937 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.89 -48.37 9.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.914 179.967 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -150.13 79.36 7.62 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.244 -179.962 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -78.54 168.48 21.25 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.621 2.214 . . . . 0.0 112.313 179.842 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 47.4 m -82.08 -117.55 0.02 OUTLIER 'General case' 0 N--CA 1.439 -1.003 0 CA-C-O 121.209 0.528 . . . . 0.0 110.82 179.913 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.316 -0.85 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.995 -179.823 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.435 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 120.795 0.331 . . . . 0.0 110.875 . . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.55 HG21 ' HB3' ' A' ' 8' ' ' CYS . 2.7 t -94.34 166.09 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.668 179.769 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.491 ' H ' HG12 ' A' ' 2' ' ' VAL . 76.7 mtt180 -78.02 -166.86 0.87 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.982 -179.321 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 14.5 tp -69.05 -37.36 78.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.286 -179.512 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -154.78 68.21 0.71 Allowed 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.096 179.846 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -139.59 169.65 17.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.833 179.85 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 70.0 p -65.13 144.75 57.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.714 179.787 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.55 ' HB3' HG21 ' A' ' 2' ' ' VAL . 21.3 p -109.42 -26.46 9.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.213 -179.888 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.592 HD12 ' O ' ' A' ' 9' ' ' LEU . 1.6 pp 22.26 93.36 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.235 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 164.49 -23.66 0.17 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.943 -179.894 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 74.24 -52.25 0.69 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.701 0.251 . . . . 0.0 111.549 -179.974 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.811 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -87.1 10.03 17.97 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.585 0.217 . . . . 0.0 111.585 -179.876 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.811 HG23 ' OE1' ' A' ' 12' ' ' GLN . 23.4 t -105.75 84.87 1.32 Allowed Pre-proline 0 C--N 1.332 -0.169 0 CA-C-O 120.749 0.309 . . . . 0.0 111.042 179.673 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.421 ' O ' ' HB3' ' A' ' 1' ' ' CYS . 52.0 Cg_endo -70.4 160.55 49.14 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.505 2.137 . . . . 0.0 112.342 179.866 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.6 t -64.62 138.52 58.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.203 -179.959 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.435 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.1 -5.61 36.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.478 179.668 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.576 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 9.1 m-20 -96.08 135.39 22.74 Favored Pre-proline 0 C--O 1.234 0.271 0 CA-C-O 120.884 0.373 . . . . 0.0 111.654 -179.235 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -54.24 137.67 71.17 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.558 2.172 . . . . 0.0 111.596 179.433 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.8 t 64.41 11.93 6.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.468 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.576 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -107.59 132.38 53.34 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 120.769 0.318 . . . . 0.0 111.115 179.82 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.4 t -137.52 144.6 42.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.791 -179.997 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 46.7 t -72.1 122.28 20.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.89 0.376 . . . . 0.0 111.236 -179.789 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -113.36 140.03 48.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.532 179.593 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 57.2 m -103.13 126.39 50.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.971 -179.86 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.18 -9.96 59.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.537 179.798 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.52 ' CD2' ' CZ ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -144.28 -159.09 0.95 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.77 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.52 ' CZ ' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.69 -67.62 0.29 Allowed 'General case' 0 N--CA 1.444 -0.743 0 CA-C-O 120.896 0.379 . . . . 0.0 110.427 179.541 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -154.97 76.72 1.0 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.71 179.496 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.49 -65.39 0.16 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.525 -179.71 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -84.4 62.04 6.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.827 0.346 . . . . 0.0 111.039 -179.715 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 51.4 m -99.23 109.92 22.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.814 179.976 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -136.12 158.0 45.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 179.894 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.42 ' SG ' ' HB1' ' A' ' 20' ' ' ALA . 5.8 t -57.53 144.04 38.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.034 0.445 . . . . 0.0 111.11 -179.82 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -138.13 126.65 23.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.318 179.512 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.98 22.33 1.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.792 -179.686 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 58.55 109.08 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.165 0.507 . . . . 0.0 111.366 179.804 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.18 56.19 4.84 Favored Glycine 0 N--CA 1.451 -0.315 0 CA-C-N 115.425 -0.807 . . . . 0.0 112.53 179.875 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.15 75.61 7.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.893 0.377 . . . . 0.0 110.763 179.91 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.99 -17.38 56.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.527 -179.789 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -84.7 -42.7 15.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.783 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -150.07 73.22 9.38 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.815 179.945 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -80.67 164.15 20.93 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.644 2.229 . . . . 0.0 112.405 -179.925 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 49.9 m -81.41 -116.15 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.058 0 CA-C-O 121.141 0.495 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 p . . . . . 0 C--N 1.315 -0.905 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.985 -179.713 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.444 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.452 0 CA-C-O 120.702 0.287 . . . . 0.0 110.926 . . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.521 HG12 ' H ' ' A' ' 3' ' ' ARG . 1.7 t -94.25 168.84 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.612 179.801 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.521 ' H ' HG12 ' A' ' 2' ' ' VAL . 15.9 mmt85 -79.1 -165.09 0.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.982 -179.3 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.656 HD12 ' OD2' ' A' ' 17' ' ' ASP . 8.0 tp -68.82 -37.55 79.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.191 -179.574 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -154.92 68.9 0.71 Allowed 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.155 179.854 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -139.97 161.73 36.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.639 179.701 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.9 m -56.59 150.9 14.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.459 ' O ' ' C ' ' A' ' 9' ' ' LEU . 30.5 p -107.33 -29.37 9.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.179 -179.826 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.595 HD12 ' O ' ' A' ' 9' ' ' LEU . 1.6 pp 22.13 95.36 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.274 179.853 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 159.99 -19.37 0.24 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.969 -179.909 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 71.06 -55.11 0.66 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.792 0.296 . . . . 0.0 111.347 -179.801 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.763 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -91.29 38.32 0.97 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.825 0.345 . . . . 0.0 110.829 179.824 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.763 HG23 ' OE1' ' A' ' 12' ' ' GLN . 21.7 t -135.25 83.22 39.16 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.006 179.815 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.406 ' O ' ' HB3' ' A' ' 1' ' ' CYS . 57.9 Cg_endo -72.43 162.65 40.86 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.605 2.203 . . . . 0.0 112.395 -179.859 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.7 t -64.31 139.82 58.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.405 -179.975 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.444 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.33 -6.31 42.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.508 179.523 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.656 ' OD2' HD12 ' A' ' 4' ' ' LEU . 76.4 m-20 -94.76 136.09 23.28 Favored Pre-proline 0 CA--C 1.531 0.231 0 CA-C-O 120.869 0.366 . . . . 0.0 111.659 -179.204 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -55.04 136.14 71.77 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.509 2.14 . . . . 0.0 111.617 179.476 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.7 t 64.48 12.59 7.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.955 -179.484 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -106.54 131.78 53.31 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.76 0.315 . . . . 0.0 110.921 179.76 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 t -137.06 148.7 46.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.893 -179.852 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 54.1 t -71.6 115.24 10.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.166 -179.862 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -106.22 140.77 38.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.664 179.662 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 69.5 m -103.39 120.9 41.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.403 ' HB2' ' HB3' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -73.27 -9.58 58.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.591 -179.894 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.493 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.29 -159.07 0.96 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.878 179.663 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.493 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -57.11 -67.45 0.32 Allowed 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 120.961 0.41 . . . . 0.0 110.354 179.576 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -155.14 74.17 0.9 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.756 179.597 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.56 -62.18 0.16 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.552 -179.686 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.403 ' HB3' ' HB2' ' A' ' 25' ' ' ARG . 23.9 m-85 -84.54 58.0 4.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.867 0.365 . . . . 0.0 110.853 -179.732 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 62.2 m -98.6 101.69 13.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.899 179.881 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -135.83 160.56 38.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 -179.908 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.41 ' SG ' ' HB1' ' A' ' 20' ' ' ALA . 8.6 t -54.45 144.77 20.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.079 0.466 . . . . 0.0 111.183 -179.73 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.56 129.23 26.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.366 179.528 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.79 8.01 16.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.785 -179.646 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.49 110.81 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 121.142 0.496 . . . . 0.0 111.238 179.736 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -84.91 54.81 4.95 Favored Glycine 0 N--CA 1.452 -0.3 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.471 -179.987 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 76.0 p -90.57 76.11 6.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.863 0.363 . . . . 0.0 110.683 179.846 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.48 -18.17 57.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.465 -179.841 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.51 -32.49 23.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.746 179.789 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -150.16 64.66 6.92 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.834 179.883 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.98 150.77 30.24 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.65 2.233 . . . . 0.0 112.308 -179.848 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 40.0 m -81.73 -116.91 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.099 0 CA-C-O 121.156 0.503 . . . . 0.0 110.866 179.908 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.9 m . . . . . 0 C--N 1.315 -0.901 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.005 -179.745 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.425 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.758 0.314 . . . . 0.0 110.842 . . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.517 HG23 HG12 ' A' ' 13' ' ' VAL . 9.6 t -93.62 163.23 2.28 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.241 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.769 179.789 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.501 ' N ' HG12 ' A' ' 2' ' ' VAL . 5.4 mtt180 -78.12 -162.52 0.35 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.255 -179.124 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.3 tp -67.85 -32.9 73.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.085 -179.566 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.81 47.33 0.55 Allowed 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.194 179.963 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.414 ' O ' HG11 ' A' ' 2' ' ' VAL . 45.4 tp10 -104.67 161.43 14.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.695 179.551 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.2 t -80.48 149.61 29.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.959 -179.93 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.473 ' HB3' HG21 ' A' ' 2' ' ' VAL . 5.9 p -109.37 -6.98 15.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.426 -179.933 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.518 ' N ' HD23 ' A' ' 9' ' ' LEU . 0.5 OUTLIER 24.25 94.58 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.538 0.569 . . . . 0.0 112.538 179.946 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.6 -20.78 7.29 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.498 179.942 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 70.65 2.17 4.01 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 -179.869 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -95.05 23.25 5.79 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.651 0.262 . . . . 0.0 110.859 179.436 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.517 HG12 HG23 ' A' ' 2' ' ' VAL . 24.9 t -141.58 91.62 8.37 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.171 -179.602 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -68.76 158.02 59.48 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.388 2.058 . . . . 0.0 112.249 179.845 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.9 t -65.23 134.54 53.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.429 179.999 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.425 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.4 -5.65 37.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.245 179.215 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.501 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -92.81 138.31 23.6 Favored Pre-proline 0 C--O 1.234 0.267 0 CA-C-O 120.948 0.404 . . . . 0.0 111.54 -179.332 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -54.72 134.44 62.6 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.624 2.216 . . . . 0.0 112.035 179.551 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 34.9 t 63.86 13.73 7.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.282 -179.739 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -105.87 135.02 48.06 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.634 0.254 . . . . 0.0 110.728 179.622 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 t -139.72 148.62 42.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.897 0.38 . . . . 0.0 111.349 -179.611 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.57 138.16 44.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.094 179.695 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.451 ' CD1' ' HB3' ' A' ' 34' ' ' ARG . 0.8 OUTLIER -141.12 146.23 36.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.597 179.769 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 35.3 m -100.24 130.77 46.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.066 -179.875 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.8 -11.23 60.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.208 179.833 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.498 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.94 -155.54 0.63 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.828 179.701 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.498 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.98 -68.78 0.18 Allowed 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 120.974 0.416 . . . . 0.0 110.514 179.527 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -154.46 80.32 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.693 179.576 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -153.05 -70.29 0.15 Allowed 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 -179.825 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.403 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 20.9 m-85 -84.28 65.52 8.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.243 -179.433 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 32.2 m -99.01 104.36 16.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.989 179.826 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.435 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 2.4 p90 -139.12 165.72 26.42 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.064 0.459 . . . . 0.0 111.366 -179.924 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.0 t -58.29 147.4 30.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.362 -179.845 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.451 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -139.91 134.16 31.22 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.387 179.023 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -85.86 15.42 4.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.796 -179.508 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.65 111.35 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.113 0.482 . . . . 0.0 111.138 179.971 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.78 54.55 3.39 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.596 179.96 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.2 p -89.97 76.1 7.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.872 0.368 . . . . 0.0 110.648 179.833 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.62 -16.91 52.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.58 -179.844 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 20.9 mtm -84.27 -41.79 16.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.89 0.376 . . . . 0.0 110.867 179.912 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -150.16 73.1 9.33 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 179.818 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -77.55 151.59 29.02 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.566 2.177 . . . . 0.0 112.322 -179.878 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 36.7 m -82.38 -118.1 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.075 0 CA-C-O 121.165 0.507 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.315 -0.895 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.005 -179.812 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.9 p . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.854 0.359 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.664 HG21 ' HB3' ' A' ' 8' ' ' CYS . 3.1 t -96.25 163.25 2.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.2 -179.785 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.451 ' N ' HG12 ' A' ' 2' ' ' VAL . 19.9 mtt180 -78.62 -166.12 0.82 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.152 -179.509 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 tp -69.11 -24.81 64.16 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.73 -179.474 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.452 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 0.0 OUTLIER -156.33 40.2 0.36 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 120.906 0.384 . . . . 0.0 111.294 -179.914 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.58 ' O ' HG11 ' A' ' 2' ' ' VAL . 14.5 tt0 -105.17 159.44 15.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.634 179.546 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 24.3 p -73.91 148.66 42.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.841 179.993 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.664 ' HB3' HG21 ' A' ' 2' ' ' VAL . 17.1 p -109.41 -24.58 10.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.202 -179.879 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.63 HD12 ' O ' ' A' ' 9' ' ' LEU . 1.5 pp 25.87 93.1 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.298 -179.815 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 141.82 -28.27 2.28 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.425 179.912 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 74.54 -14.2 0.74 Allowed 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.187 0.439 . . . . 0.0 112.187 -179.957 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.56 -12.58 42.35 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 120.658 0.266 . . . . 0.0 111.125 -179.906 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.1 t -101.78 90.09 1.75 Allowed Pre-proline 0 C--N 1.332 -0.18 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.548 -179.643 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -68.21 158.66 56.53 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.386 2.058 . . . . 0.0 112.201 179.682 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.4 t -65.08 149.29 50.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.254 -179.975 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.5 m -74.45 1.72 11.16 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.833 -0.622 . . . . 0.0 112.317 -179.912 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.557 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 5.7 m-20 -111.92 140.25 23.19 Favored Pre-proline 0 CA--C 1.532 0.272 0 CA-C-O 121.044 0.449 . . . . 0.0 111.988 -178.951 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -55.49 137.57 78.05 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.551 2.167 . . . . 0.0 111.471 179.24 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.5 t 64.97 10.93 6.65 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 -179.336 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -103.42 124.67 49.14 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-O 120.792 0.329 . . . . 0.0 110.769 179.568 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.7 t -130.54 163.47 27.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.763 -179.775 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.0 t -70.49 140.06 51.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.996 0.427 . . . . 0.0 111.208 -179.845 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.411 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 38.8 t80 -134.52 126.03 28.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.399 179.963 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 13.2 m -96.69 130.33 43.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.208 -179.676 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.57 -8.91 57.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.223 179.497 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.537 ' CD2' ' CZ ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -142.77 -157.0 0.73 Allowed 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 179.666 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.537 ' CZ ' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.61 -68.62 0.18 Allowed 'General case' 0 N--CA 1.445 -0.677 0 CA-C-O 120.881 0.372 . . . . 0.0 110.371 179.597 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.9 p-10 -155.91 80.69 1.0 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.685 179.573 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.1 -70.73 0.16 Allowed 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -179.685 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.4 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.3 OUTLIER -83.9 67.21 9.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.911 0.386 . . . . 0.0 111.158 -179.509 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 13.9 m -99.09 113.13 25.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.99 179.944 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -133.87 165.38 25.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.149 179.965 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.9 t -56.01 141.19 40.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.105 0.478 . . . . 0.0 111.274 -179.844 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.8 mmm-85 -142.17 125.12 16.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.133 179.338 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.4 mtmp? -84.54 19.97 1.83 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.824 -179.687 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 58.97 109.37 0.02 OUTLIER 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.16 0.505 . . . . 0.0 111.252 179.796 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.35 55.67 4.38 Favored Glycine 0 N--CA 1.451 -0.329 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.555 179.919 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -89.97 75.16 7.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.855 0.36 . . . . 0.0 110.598 179.841 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.82 -17.87 57.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.438 -179.999 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 43.6 tpp -84.76 -42.04 15.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.865 179.876 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -150.33 73.87 9.07 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.154 -179.972 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -79.48 162.88 24.72 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.7 2.267 . . . . 0.0 112.287 -179.999 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 48.4 m -82.17 -117.82 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.09 0 CA-C-O 121.203 0.525 . . . . 0.0 110.877 179.916 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 C--N 1.317 -0.843 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.085 -179.758 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.792 0.329 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.593 HG21 ' HB3' ' A' ' 8' ' ' CYS . 11.4 t -95.8 161.78 2.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.299 -179.756 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.501 ' N ' HG12 ' A' ' 2' ' ' VAL . 1.7 mtt85 -78.22 -169.47 1.63 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.73 -179.463 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.9 tp -67.56 -30.21 69.78 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 120.804 0.335 . . . . 0.0 111.335 -179.508 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -154.89 69.87 0.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.228 179.884 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.432 ' HB2' ' HB2' ' A' ' 3' ' ' ARG . 5.5 tt0 -140.59 163.11 33.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.658 179.584 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 40.1 t -72.54 153.7 41.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.593 ' HB3' HG21 ' A' ' 2' ' ' VAL . 25.5 p -108.63 1.05 21.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.499 179.914 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.9 OUTLIER 22.45 95.88 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 179.77 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 117.91 -24.88 8.68 Favored Glycine 0 C--N 1.33 0.215 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.643 179.749 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 74.45 -6.3 1.92 Allowed 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.78 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.642 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -96.12 34.94 1.49 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.912 0.387 . . . . 0.0 110.767 179.476 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.642 HG23 ' OE1' ' A' ' 12' ' ' GLN . 35.5 t -140.14 93.46 9.15 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.179 -179.8 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -62.98 152.38 79.67 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.325 2.017 . . . . 0.0 112.405 -179.895 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.7 t -65.65 146.23 55.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.57 -179.862 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 99.2 m -72.2 -10.34 59.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.376 179.476 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.537 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 1.9 m-20 -99.41 135.26 20.72 Favored Pre-proline 0 C--O 1.234 0.246 0 CA-C-O 120.961 0.41 . . . . 0.0 112.016 -178.953 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -54.7 139.36 76.99 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.503 2.135 . . . . 0.0 111.511 179.207 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.5 t 66.15 7.64 4.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.253 -179.372 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -105.52 132.2 51.98 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 120.719 0.295 . . . . 0.0 110.839 179.555 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.6 t -139.26 147.14 41.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.048 -179.654 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 50.5 t -73.44 138.93 45.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.133 179.793 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.474 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -142.3 150.47 40.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.633 179.626 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 35.9 m -100.69 122.68 43.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.048 -179.872 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.415 ' HB2' ' HB3' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -73.44 -8.94 58.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.377 179.881 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.505 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -144.93 -155.97 0.66 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.968 179.656 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.505 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.17 -69.85 0.13 Allowed 'General case' 0 N--CA 1.445 -0.688 0 CA-C-O 120.86 0.362 . . . . 0.0 110.514 179.635 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -155.45 75.57 0.93 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.781 179.564 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.82 -59.35 0.14 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.572 -179.817 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.44 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 3.7 m-85 -85.1 55.47 3.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.114 -179.697 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.474 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 37.9 m -95.83 96.66 9.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.761 179.908 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -139.28 165.44 27.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.107 0.479 . . . . 0.0 111.708 -179.758 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 4.7 t -55.67 146.49 20.82 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.579 -179.795 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.459 ' CG ' ' CD1' ' A' ' 23' ' ' TYR . 4.8 mmm180 -138.67 128.24 24.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.164 179.293 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.49 10.02 9.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.932 -179.623 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.06 110.72 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 121.185 0.517 . . . . 0.0 111.221 179.808 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -83.08 55.63 5.04 Favored Glycine 0 N--CA 1.452 -0.277 0 CA-C-N 115.432 -0.804 . . . . 0.0 112.506 179.973 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.2 p -89.74 74.97 7.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.925 0.393 . . . . 0.0 110.678 179.897 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.86 -18.51 60.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.483 -179.954 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.63 -36.3 22.09 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.78 179.898 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -150.22 69.0 8.87 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -76.74 155.09 34.93 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.532 2.155 . . . . 0.0 112.204 179.917 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 41.7 m -81.9 -117.46 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.031 0 CA-C-O 121.217 0.532 . . . . 0.0 110.754 179.986 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.2 m . . . . . 0 C--N 1.317 -0.846 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.115 -179.68 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.449 0 CA-C-O 120.948 0.404 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.813 HG12 ' HA ' ' A' ' 15' ' ' CYS . 0.3 OUTLIER -94.98 177.95 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.699 179.682 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.438 ' H ' HG22 ' A' ' 2' ' ' VAL . 5.6 mmt180 -79.7 -163.56 0.54 Allowed 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.994 -179.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 40.0 tp -68.83 -39.69 79.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.392 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -155.85 77.69 0.97 Allowed 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 120.878 0.37 . . . . 0.0 111.849 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.721 ' CG ' HG22 ' A' ' 2' ' ' VAL . 7.0 pt-20 -140.51 174.31 10.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.561 179.103 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.89 143.02 51.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.881 0.372 . . . . 0.0 111.304 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' A' ' 9' ' ' LEU . 24.2 p -109.49 -2.57 17.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.226 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.624 ' O ' HD12 ' A' ' 9' ' ' LEU . 1.9 pp 22.32 99.52 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.48 -24.67 8.0 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.846 179.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 69.92 2.48 3.9 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.63 0.233 . . . . 0.0 111.63 -179.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.885 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -93.49 -10.28 35.48 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.694 0.283 . . . . 0.0 111.001 179.498 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.885 HG23 ' OE1' ' A' ' 12' ' ' GLN . 41.9 t -100.93 90.56 1.58 Allowed Pre-proline 0 C--N 1.333 -0.152 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.118 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.414 ' HD3' ' O ' ' A' ' 12' ' ' GLN . 28.7 Cg_endo -64.9 153.74 76.54 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.337 2.025 . . . . 0.0 112.089 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.813 ' HA ' HG12 ' A' ' 2' ' ' VAL . 6.1 t -66.11 136.0 55.36 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.474 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.488 ' HB2' ' O ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER -72.05 -7.15 47.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.08 179.126 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.489 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.5 OUTLIER -90.87 133.28 32.53 Favored Pre-proline 0 C--O 1.234 0.244 0 CA-C-O 120.988 0.423 . . . . 0.0 111.346 -179.622 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -53.74 134.9 60.69 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.575 2.183 . . . . 0.0 112.079 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 33.9 t 63.98 13.75 7.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.575 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -105.12 134.31 48.44 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 120.637 0.256 . . . . 0.0 110.901 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 t -137.7 146.39 43.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.254 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 5.4 t -73.05 131.54 42.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.199 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.442 ' CD1' ' HG3' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -131.44 148.01 52.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.484 179.602 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.443 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 40.2 m -99.66 128.12 45.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.129 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.17 -10.52 59.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.319 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.491 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.45 -154.76 0.56 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.888 179.72 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.491 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.65 -71.0 0.09 Allowed 'General case' 0 N--CA 1.445 -0.715 0 CA-C-O 120.912 0.387 . . . . 0.0 110.535 179.562 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -155.19 75.88 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.779 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -153.09 -61.57 0.15 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.856 0.36 . . . . 0.0 111.585 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.409 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 9.6 m-85 -84.33 59.02 5.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.832 -179.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.443 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 31.0 m -97.57 103.07 14.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -137.68 163.61 30.86 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.435 ' HB2' HG11 ' A' ' 2' ' ' VAL . 13.5 t -53.99 145.97 15.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.13 0.491 . . . . 0.0 111.384 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.442 ' HG3' ' CD1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -139.05 127.92 23.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.389 179.36 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.22 14.09 4.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.718 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.61 111.15 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 121.201 0.524 . . . . 0.0 111.205 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.16 54.51 3.53 Favored Glycine 0 N--CA 1.451 -0.308 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.581 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.6 p -91.28 77.11 5.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.934 0.397 . . . . 0.0 110.59 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.06 -17.13 50.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.61 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.8 ttm -84.03 -38.27 21.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.832 0.348 . . . . 0.0 110.784 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -150.26 69.41 8.93 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.758 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_endo -77.91 145.82 22.77 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.671 2.247 . . . . 0.0 112.533 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 36.6 m -82.29 -118.34 0.02 OUTLIER 'General case' 0 N--CA 1.435 -1.184 0 CA-C-O 121.285 0.564 . . . . 0.0 110.815 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -82.09 88.16 6.45 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.989 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.85 66.27 0.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.559 ' OXT' HG22 ' A' ' 46' ' ' THR . 17.5 m . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.415 ' HB3' ' O ' ' A' ' 14' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.474 0 CA-C-O 120.759 0.314 . . . . 0.0 110.931 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.747 HG12 ' HA ' ' A' ' 15' ' ' CYS . 0.8 OUTLIER -94.16 -179.35 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.578 179.522 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.574 ' H ' HG22 ' A' ' 2' ' ' VAL . 6.5 mtm180 -79.73 -169.36 1.93 Allowed 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.075 -179.207 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.586 HD12 ' CG ' ' A' ' 17' ' ' ASP . 6.6 tp -68.23 -33.94 75.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.229 -179.527 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.69 71.84 0.83 Allowed 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.057 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -138.92 167.51 21.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.683 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.4 p -65.54 142.52 58.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.731 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.842 ' C ' HD23 ' A' ' 9' ' ' LEU . 27.9 p -108.38 -20.34 13.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.318 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.842 HD23 ' C ' ' A' ' 8' ' ' CYS . 1.9 pt? 18.18 98.9 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.257 0.623 . . . . 0.0 112.649 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 147.48 -28.58 1.49 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.42 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 74.89 -31.56 0.21 Allowed 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.904 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -88.01 0.49 55.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.477 0.18 . . . . 0.0 111.42 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.904 HG23 ' OE1' ' A' ' 12' ' ' GLN . 27.1 t -105.29 86.41 1.64 Allowed Pre-proline 0 C--N 1.331 -0.209 0 CA-C-O 120.673 0.273 . . . . 0.0 111.261 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.415 ' O ' ' HB3' ' A' ' 1' ' ' CYS . 43.6 Cg_endo -69.7 158.35 57.33 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.467 2.112 . . . . 0.0 112.327 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.747 ' HA ' HG12 ' A' ' 2' ' ' VAL . 6.9 t -66.39 137.91 57.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.505 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.468 ' HB2' ' O ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER -72.77 -6.48 45.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.322 179.245 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.586 ' CG ' HD12 ' A' ' 4' ' ' LEU . 1.0 OUTLIER -91.67 135.52 27.61 Favored Pre-proline 0 C--O 1.233 0.224 0 CA-C-O 120.814 0.34 . . . . 0.0 111.679 -179.278 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -55.26 135.88 70.97 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.488 2.125 . . . . 0.0 111.689 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.9 t 63.66 13.98 7.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.839 -179.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -107.12 128.24 54.21 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-O 120.903 0.382 . . . . 0.0 111.048 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.3 t -134.84 143.3 46.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.65 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 29.6 t -71.7 149.16 45.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.967 0.413 . . . . 0.0 111.274 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.446 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -153.83 151.25 29.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.587 179.666 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 8.3 m -104.25 138.7 40.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.022 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.58 -11.0 60.47 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.242 179.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.491 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.38 -155.22 0.59 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.844 179.745 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.491 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.96 -66.82 0.36 Allowed 'General case' 0 N--CA 1.445 -0.724 0 CA-C-O 120.924 0.392 . . . . 0.0 110.554 179.531 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -156.08 83.44 1.0 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.636 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -150.82 -77.37 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.709 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.4 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 5.0 m-85 -84.39 71.53 10.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.891 0.377 . . . . 0.0 111.172 -179.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.3 m -98.3 108.58 21.31 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.963 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -137.12 171.14 14.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.058 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.412 ' SG ' ' HB1' ' A' ' 20' ' ' ALA . 14.1 t -61.51 145.24 52.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.42 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.446 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 17.0 ttt85 -136.67 117.79 14.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.237 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 38.4 mtpt -84.91 22.17 1.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.905 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 58.47 109.01 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 121.262 0.553 . . . . 0.0 111.305 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -82.16 53.93 4.81 Favored Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.478 -0.783 . . . . 0.0 112.641 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.4 p -91.78 76.8 5.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.894 0.378 . . . . 0.0 110.595 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.58 -16.99 53.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.483 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -84.09 -38.55 20.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.862 0.363 . . . . 0.0 110.797 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -150.19 69.41 8.98 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -78.01 158.44 30.69 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.614 2.21 . . . . 0.0 112.42 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 50.5 m -81.51 -116.64 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.051 0 CA-C-O 121.154 0.502 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.6 m -81.01 107.71 14.06 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.053 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.7 tpp85 -155.15 91.45 1.35 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.77 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.818 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.43 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.449 0 CA-C-O 120.757 0.313 . . . . 0.0 110.925 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.509 HG21 ' HB3' ' A' ' 8' ' ' CYS . 3.1 t -94.04 164.62 2.06 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.274 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.638 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.454 ' H ' HG12 ' A' ' 2' ' ' VAL . 3.4 mtt85 -78.57 -166.38 0.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.925 -179.082 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 tp -68.66 -34.47 75.76 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.425 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.91 68.03 0.7 Allowed 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.181 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -140.32 158.31 44.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.599 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.6 t -60.14 151.55 26.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.608 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.509 ' HB3' HG21 ' A' ' 2' ' ' VAL . 20.9 p -107.66 -26.94 10.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.217 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.578 HD12 ' O ' ' A' ' 9' ' ' LEU . 1.6 pp 23.7 93.07 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.285 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.6 -22.62 0.25 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.733 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 74.59 -51.7 0.68 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.675 0.238 . . . . 0.0 111.471 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -90.55 36.92 0.9 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.843 0.354 . . . . 0.0 111.067 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.5 t -136.98 83.2 28.87 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.036 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.415 ' O ' ' HB3' ' A' ' 1' ' ' CYS . 58.8 Cg_endo -72.76 163.75 37.54 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.607 2.205 . . . . 0.0 112.241 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.7 t -63.89 140.37 58.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.275 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.43 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.65 -4.15 29.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.764 179.718 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.495 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 4.0 m-20 -96.87 141.95 23.82 Favored Pre-proline 0 C--O 1.233 0.228 0 CA-C-O 120.999 0.428 . . . . 0.0 111.755 -179.171 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -56.0 134.93 67.12 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.644 2.229 . . . . 0.0 111.765 179.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 47.0 t 64.14 12.74 7.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.072 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -105.51 130.12 53.65 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 120.919 0.39 . . . . 0.0 110.863 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.0 t -136.02 150.0 49.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.729 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.4 t -71.21 107.54 4.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.977 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -98.81 140.88 32.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.818 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 78.2 m -107.94 118.49 36.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.661 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.41 ' HB2' ' CB ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -73.06 -10.01 59.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.549 -179.789 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.494 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.67 -160.05 1.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 179.604 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.494 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -57.12 -67.26 0.33 Allowed 'General case' 0 N--CA 1.445 -0.707 0 CA-C-O 120.967 0.413 . . . . 0.0 110.386 179.657 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -154.17 74.07 0.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.762 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.06 -60.83 0.16 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.766 0.317 . . . . 0.0 111.51 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.414 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 82.9 m-85 -85.22 54.23 3.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.012 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 83.3 m -97.33 98.94 10.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.856 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -137.1 165.49 25.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.135 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.5 t -57.15 139.36 52.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.061 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -141.56 123.67 15.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.396 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.12 24.65 1.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.676 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 59.74 110.3 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 121.255 0.55 . . . . 0.0 111.025 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -82.19 52.38 4.63 Favored Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 115.419 -0.809 . . . . 0.0 112.763 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 37.4 p -92.97 78.65 4.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.947 0.403 . . . . 0.0 110.399 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.52 -15.32 26.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.696 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.8 tpp -83.7 -38.35 21.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.784 0.326 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -150.47 68.15 8.38 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.167 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -76.21 158.87 37.32 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.661 2.24 . . . . 0.0 112.353 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 48.0 m -81.8 -116.88 0.02 OUTLIER 'General case' 0 N--CA 1.439 -1.008 0 CA-C-O 121.202 0.525 . . . . 0.0 110.865 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.7 m -81.32 93.93 6.65 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.055 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.91 82.6 1.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.809 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.516 0 CA-C-O 120.828 0.347 . . . . 0.0 111.054 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.652 HG12 ' HA ' ' A' ' 15' ' ' CYS . 1.4 p -95.51 179.33 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.727 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.644 ' H ' HG22 ' A' ' 2' ' ' VAL . 23.7 mtt180 -79.29 -168.12 1.4 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.822 0.344 . . . . 0.0 111.487 -178.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.879 HD12 ' OD2' ' A' ' 17' ' ' ASP . 3.2 tp -68.05 -36.91 80.67 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.471 -179.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.46 ' CE1' HD23 ' A' ' 4' ' ' LEU . 0.3 OUTLIER -153.28 69.61 0.83 Allowed 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.243 -179.914 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -140.21 169.11 18.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.505 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.4 t -71.06 138.53 49.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.519 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.473 ' O ' ' C ' ' A' ' 9' ' ' LEU . 28.0 p -108.97 -24.02 11.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.379 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.608 HD12 ' O ' ' A' ' 9' ' ' LEU . 1.5 pp 23.96 91.52 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 122.875 0.47 . . . . 0.0 111.972 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 172.78 -23.91 0.08 OUTLIER Glycine 0 CA--C 1.519 0.287 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.942 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 75.26 -52.71 0.66 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.729 0.265 . . . . 0.0 111.583 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.848 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -87.23 9.25 20.78 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.549 0.203 . . . . 0.0 111.549 -179.799 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.848 HG23 ' OE1' ' A' ' 12' ' ' GLN . 24.0 t -105.76 84.95 1.34 Allowed Pre-proline 0 C--N 1.332 -0.194 0 CA-C-O 120.668 0.27 . . . . 0.0 111.084 179.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -70.28 160.12 50.64 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.472 2.115 . . . . 0.0 112.257 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.652 ' HA ' HG12 ' A' ' 2' ' ' VAL . 9.4 t -64.18 141.69 58.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.229 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER -71.74 -6.89 44.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.465 179.666 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.879 ' OD2' HD12 ' A' ' 4' ' ' LEU . 76.7 m-20 -88.69 142.44 30.82 Favored Pre-proline 0 C--O 1.233 0.186 0 CA-C-O 120.835 0.35 . . . . 0.0 111.519 -179.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -55.24 133.95 61.02 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.604 2.203 . . . . 0.0 111.88 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 59.0 15.67 4.14 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.409 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -102.33 134.42 45.65 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.85 0.357 . . . . 0.0 110.801 179.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.6 t -135.49 149.19 49.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -72.27 145.69 47.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.011 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.408 ' CD2' ' HG3' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -141.6 142.31 33.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.593 179.849 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 27.8 m -103.06 133.15 48.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.18 -9.94 59.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.302 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.491 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.06 -156.35 0.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.746 179.732 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.491 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.04 -68.03 0.24 Allowed 'General case' 0 N--CA 1.446 -0.654 0 CA-C-O 120.936 0.398 . . . . 0.0 110.392 179.508 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -156.03 80.24 0.99 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.722 179.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.87 -71.72 0.16 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.753 0.311 . . . . 0.0 111.771 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -83.9 68.57 10.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.045 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.5 m -100.19 111.07 23.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -136.99 167.95 20.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.941 0.401 . . . . 0.0 111.027 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.444 ' HB2' ' CG1' ' A' ' 2' ' ' VAL . 29.3 t -55.39 144.07 26.65 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.601 -179.581 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.408 ' HG3' ' CD2' ' A' ' 23' ' ' TYR . 14.5 ttt180 -135.33 114.88 12.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.362 179.436 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.45 11.79 7.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.839 -179.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 60.49 110.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.19 0.519 . . . . 0.0 111.196 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -80.19 55.44 4.59 Favored Glycine 0 N--CA 1.45 -0.384 0 CA-C-N 115.497 -0.774 . . . . 0.0 112.592 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.6 p -89.49 75.31 7.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.94 0.4 . . . . 0.0 110.557 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.64 -18.7 60.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.486 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.2 mtt -84.95 -34.21 22.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.706 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -150.17 65.98 7.63 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.838 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -79.59 167.41 20.87 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.615 2.21 . . . . 0.0 112.202 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 36.4 m -82.3 -119.34 0.02 OUTLIER 'General case' 0 N--CA 1.436 -1.146 0 CA-C-O 121.233 0.54 . . . . 0.0 110.705 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.96 83.27 7.87 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.927 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.5 mtm-85 -154.32 92.65 1.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 35.8 m . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.168 -0.92 . . . . 0.0 110.885 179.98 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.44 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.502 0 CA-C-O 120.741 0.305 . . . . 0.0 110.843 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.53 HG12 ' HB3' ' A' ' 6' ' ' GLU . 2.6 t -94.07 160.75 2.67 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.311 0 CA-C-O 121.031 0.444 . . . . 0.0 111.106 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.63 -169.88 2.36 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.977 -179.589 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.6 tp -68.76 -22.15 64.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.502 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.465 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 0.0 OUTLIER -155.84 71.11 0.73 Allowed 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 120.97 0.414 . . . . 0.0 111.252 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.53 ' HB3' HG12 ' A' ' 2' ' ' VAL . 12.8 tp10 -140.28 156.91 46.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.696 179.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.05 150.47 28.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.235 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 9' ' ' LEU . 7.0 p -111.97 -18.59 12.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.208 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.449 HD12 ' O ' ' A' ' 9' ' ' LEU . 1.3 pp 26.74 93.75 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 122.994 0.518 . . . . 0.0 112.289 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 134.33 -22.99 3.69 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.433 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 72.29 -3.07 2.38 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.401 ' CD ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -95.15 20.32 9.31 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.672 0.272 . . . . 0.0 110.965 179.466 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.463 HG12 ' CG2' ' A' ' 2' ' ' VAL . 13.6 t -142.04 87.87 9.55 Favored Pre-proline 0 C--N 1.331 -0.203 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.205 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -73.33 161.07 43.61 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.564 2.176 . . . . 0.0 112.444 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.1 t -64.7 133.73 52.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.309 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.44 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -73.25 -3.76 28.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.479 179.395 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.516 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -92.45 140.03 24.02 Favored Pre-proline 0 C--O 1.234 0.284 0 CA-C-O 120.911 0.386 . . . . 0.0 111.607 -179.405 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -55.62 134.72 65.66 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.62 2.213 . . . . 0.0 111.769 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.7 t 64.2 13.22 7.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.041 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -106.32 131.16 53.87 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-O 120.801 0.334 . . . . 0.0 110.921 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.8 t -136.2 141.79 44.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.942 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.7 t -73.54 109.74 7.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.068 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.469 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 0.4 OUTLIER -108.18 149.26 28.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.61 179.749 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 8.4 m -101.85 140.76 35.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.18 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.89 -10.44 59.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.104 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.498 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.09 -155.06 0.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.751 179.664 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.498 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.3 -66.71 0.39 Allowed 'General case' 0 N--CA 1.444 -0.746 0 CA-C-O 120.947 0.403 . . . . 0.0 110.428 179.551 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 21.9 p-10 -156.39 83.66 0.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.684 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -150.81 -79.91 0.12 Allowed 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.468 ' CD2' ' CE1' ' A' ' 32' ' ' TYR . 1.8 t80 -84.11 76.76 10.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 111.12 -179.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 12.3 m -101.29 115.08 29.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.158 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.491 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.6 OUTLIER -136.95 160.31 39.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.812 179.788 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.9 t -53.27 140.42 26.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.097 0.475 . . . . 0.0 111.356 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.469 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 2.9 ttt180 -135.87 127.02 28.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.418 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.24 18.68 2.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.898 -179.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 58.94 109.39 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 121.205 0.526 . . . . 0.0 111.276 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.59 56.11 4.46 Favored Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.521 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -89.95 75.49 7.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.934 0.397 . . . . 0.0 110.697 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.98 -17.36 56.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.495 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.1 ttm -84.65 -41.57 16.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.841 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -149.72 73.12 9.68 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.94 158.56 34.56 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.577 2.184 . . . . 0.0 112.363 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 40.0 m -82.21 -117.62 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.093 0 CA-C-O 121.274 0.559 . . . . 0.0 110.93 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.74 88.39 6.28 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.088 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.26 82.63 1.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.738 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.121 -0.942 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 14' ' ' PRO . 1.9 p . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.754 0.312 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.546 ' CG2' HG12 ' A' ' 13' ' ' VAL . 3.3 t -95.86 165.41 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.458 -179.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.488 ' H ' HG12 ' A' ' 2' ' ' VAL . 3.7 mtp180 -76.68 -163.09 0.3 Allowed 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.867 -179.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.9 tp -67.36 -33.33 75.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.232 -179.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -155.25 52.98 0.62 Allowed 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.42 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -105.33 -178.73 3.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.618 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.6 t -96.9 145.24 26.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.443 ' O ' ' C ' ' A' ' 9' ' ' LEU . 26.8 p -110.05 -22.48 11.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.191 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.61 HD12 ' O ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER 25.25 94.81 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.07 -21.31 5.25 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.532 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 70.93 0.99 3.59 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.77 22.89 6.74 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.6 0.238 . . . . 0.0 110.859 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.546 HG12 ' CG2' ' A' ' 2' ' ' VAL . 30.9 t -141.81 92.29 7.93 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.325 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.432 ' O ' ' HB2' ' A' ' 1' ' ' CYS . 37.9 Cg_endo -68.36 155.5 69.0 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.35 2.034 . . . . 0.0 112.313 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.5 t -66.87 142.06 57.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.446 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 66.4 m -72.13 -8.51 55.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.285 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.587 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 9.8 t70 -97.23 132.77 24.93 Favored Pre-proline 0 C--O 1.235 0.297 0 CA-C-O 120.923 0.392 . . . . 0.0 112.021 -178.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -54.87 139.0 78.51 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.539 2.159 . . . . 0.0 111.402 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.1 t 65.8 9.32 5.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.084 -179.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -104.59 128.18 52.52 Favored 'General case' 0 N--CA 1.457 -0.08 0 CA-C-O 120.831 0.348 . . . . 0.0 110.563 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.2 t -132.2 146.91 52.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.922 0.391 . . . . 0.0 111.044 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.8 t -73.31 144.71 46.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.273 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.463 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 0.3 OUTLIER -147.81 147.53 29.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.581 179.503 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 17.8 m -101.62 132.47 47.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.102 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.06 -9.63 58.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.351 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.501 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -144.53 -155.0 0.57 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.847 179.645 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.501 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.76 -69.88 0.13 Allowed 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 120.929 0.395 . . . . 0.0 110.359 179.526 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -155.75 79.45 1.0 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.624 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.27 -67.92 0.16 Allowed 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.412 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 2.6 m-85 -84.23 65.04 8.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.833 0.349 . . . . 0.0 111.049 -179.539 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 22.7 m -98.01 107.94 20.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.826 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -136.86 168.82 18.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.095 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.409 ' SG ' ' HB1' ' A' ' 20' ' ' ALA . 4.6 t -62.9 147.13 51.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.219 -179.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.463 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 3.3 tmm_? -138.39 119.71 14.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.302 179.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.7 mtpp -84.38 17.76 2.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.81 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 60.07 110.74 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 121.21 0.529 . . . . 0.0 111.139 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.27 54.58 4.3 Favored Glycine 0 N--CA 1.45 -0.384 0 CA-C-N 115.437 -0.801 . . . . 0.0 112.649 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.89 76.1 6.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.934 0.397 . . . . 0.0 110.615 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.55 -17.57 55.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.498 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.58 -40.97 16.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.845 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 -150.08 71.35 9.38 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.945 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -81.4 157.92 19.58 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.646 2.231 . . . . 0.0 112.354 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 45.8 m -82.31 -118.1 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.095 0 CA-C-O 121.166 0.508 . . . . 0.0 110.717 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.47 89.09 6.6 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.104 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -155.1 86.24 1.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.921 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.944 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 3.1 p . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.998 0.428 . . . . 0.0 111.267 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.635 ' HB ' HG12 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -102.24 170.83 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.909 179.699 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.535 ' O ' HG13 ' A' ' 2' ' ' VAL . 0.2 OUTLIER -80.03 -179.89 7.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.987 -179.44 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.524 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 15.2 tp -71.84 -54.95 8.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -86.06 47.51 1.47 Allowed 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.404 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -142.3 167.08 22.95 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.054 0.454 . . . . 0.0 111.544 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.502 ' HA ' ' HA ' ' A' ' 32' ' ' TYR . 82.4 p -107.16 170.87 7.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.613 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 9' ' ' LEU . 19.5 p -120.78 -11.36 9.01 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.819 -179.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 8' ' ' CYS . 4.9 tp 25.85 84.72 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 133.19 -11.6 5.03 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.654 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.79 15.25 8.9 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.61 0.243 . . . . 0.0 111.432 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.466 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -95.35 -28.92 14.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.776 0.322 . . . . 0.0 111.007 179.643 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.635 HG12 ' HB ' ' A' ' 2' ' ' VAL . 23.5 t -102.81 89.47 1.86 Allowed Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.525 -179.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -67.94 157.19 62.89 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.362 2.041 . . . . 0.0 112.386 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.41 ' HA ' HG12 ' A' ' 2' ' ' VAL . 6.5 t -65.7 142.11 58.13 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.37 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 55.0 m -71.92 -8.33 53.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.424 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.507 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 13.4 t70 -88.13 137.23 31.3 Favored Pre-proline 0 C--O 1.234 0.287 0 CA-C-O 120.968 0.414 . . . . 0.0 111.937 -178.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -55.88 135.42 69.55 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.593 2.195 . . . . 0.0 111.66 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.442 ' O ' HD12 ' A' ' 36' ' ' LEU . 49.2 t 64.37 12.81 7.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.123 -179.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -104.12 105.42 15.58 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 120.967 0.413 . . . . 0.0 110.86 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 t -107.72 157.47 18.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.621 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.4 t -73.41 104.95 4.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.018 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.426 ' HB3' ' HB2' ' A' ' 34' ' ' ARG . 34.7 t80 -96.3 141.05 30.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.758 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 12.6 m -106.86 136.26 47.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.66 -11.05 60.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.222 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.5 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.75 -155.77 0.64 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.801 179.667 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.5 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.44 -66.04 0.51 Allowed 'General case' 0 N--CA 1.445 -0.695 0 CA-C-O 120.86 0.362 . . . . 0.0 110.484 179.536 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 -156.01 83.54 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.703 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -150.56 -76.69 0.14 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.644 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.414 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -84.47 69.09 10.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.969 0.414 . . . . 0.0 111.134 -179.576 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 38.0 m -97.66 108.98 21.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.502 ' HA ' ' HA ' ' A' ' 7' ' ' SER . 4.5 p90 -137.95 177.38 7.92 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.418 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.524 ' HB3' ' O ' ' A' ' 4' ' ' LEU . 53.8 t -51.23 128.14 21.32 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.603 -179.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.426 ' HB2' ' HB3' ' A' ' 23' ' ' TYR . 1.4 tpt180 -141.44 132.18 25.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.41 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -83.6 35.87 0.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.442 HD12 ' O ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER 54.89 107.4 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 121.172 0.51 . . . . 0.0 111.398 179.512 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.25 55.58 1.92 Allowed Glycine 0 N--CA 1.452 -0.275 0 CA-C-N 115.641 -0.708 . . . . 0.0 112.59 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.43 77.77 5.06 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.89 0.376 . . . . 0.0 110.624 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.17 -16.73 47.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.551 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.0 mmt -84.43 -45.98 12.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.867 0.365 . . . . 0.0 110.901 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -150.12 74.59 9.12 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.96 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -84.2 163.0 13.32 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.77 2.314 . . . . 0.0 112.544 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 46.8 m -82.03 -117.44 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.05 0 CA-C-O 121.188 0.518 . . . . 0.0 110.77 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 m -82.03 129.65 34.85 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.067 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.3 tpt85 -154.94 74.03 0.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.87 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.132 -0.937 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.419 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.431 0 CA-C-O 120.657 0.265 . . . . 0.0 110.892 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.64 HG23 HG12 ' A' ' 13' ' ' VAL . 16.6 t -94.16 160.33 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.909 0.385 . . . . 0.0 110.989 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.491 ' N ' HG12 ' A' ' 2' ' ' VAL . 25.3 mtt180 -79.51 -166.93 1.06 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.259 -179.234 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.443 HD11 ' HE2' ' A' ' 35' ' ' LYS . 1.2 tp -69.93 -24.08 63.31 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.374 -179.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.446 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 0.0 OUTLIER -156.29 70.9 0.69 Allowed 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.001 0.429 . . . . 0.0 111.008 179.811 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -139.13 157.62 45.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.671 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 87.8 p -75.3 153.22 38.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.204 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.736 ' C ' HD23 ' A' ' 9' ' ' LEU . 31.2 p -118.94 0.73 11.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.379 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.736 HD23 ' C ' ' A' ' 8' ' ' CYS . 1.3 pt? 15.57 106.77 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.53 -17.03 34.02 Favored Glycine 0 CA--C 1.519 0.318 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.689 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 67.91 6.98 5.45 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.475 HE21 HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -93.04 17.47 10.75 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.634 0.254 . . . . 0.0 110.874 179.708 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.64 HG12 HG23 ' A' ' 2' ' ' VAL . 31.4 t -141.6 87.96 9.96 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.065 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -67.9 158.84 55.55 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.469 2.113 . . . . 0.0 112.132 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.0 t -64.16 135.17 56.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.296 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.419 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -71.83 -6.43 41.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.312 179.304 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.411 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.5 OUTLIER -86.03 143.33 37.24 Favored Pre-proline 0 CA--C 1.531 0.231 0 CA-C-O 120.843 0.354 . . . . 0.0 111.291 -179.565 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -54.75 133.33 56.75 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.509 2.14 . . . . 0.0 112.016 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 59.12 16.1 4.56 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.644 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -101.72 133.24 46.75 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 120.879 0.371 . . . . 0.0 110.947 179.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.0 t -134.79 141.45 46.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.978 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 45.6 t -73.18 118.11 15.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.045 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.461 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -115.1 155.74 26.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.927 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.4 m -108.89 132.5 53.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.942 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.05 -12.39 60.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.187 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.488 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -146.08 -156.86 0.75 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.888 179.684 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.488 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.61 -66.88 0.37 Allowed 'General case' 0 N--CA 1.446 -0.663 0 CA-C-O 120.857 0.36 . . . . 0.0 110.528 179.576 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -155.09 79.97 1.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.705 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.1 -70.76 0.16 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.487 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -84.51 64.54 8.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.958 0.409 . . . . 0.0 110.961 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 59.8 m -98.42 104.18 16.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.462 ' N ' ' CD1' ' A' ' 32' ' ' TYR . 1.3 p90 -138.3 167.95 20.77 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.967 0.413 . . . . 0.0 111.269 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.5 t -56.15 139.73 46.45 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.492 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.461 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 70.3 ttt180 -139.3 114.54 9.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.293 179.122 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.443 ' HE2' HD11 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -84.46 35.58 0.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.64 -179.452 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 56.88 108.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.198 0.523 . . . . 0.0 111.321 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -72.49 54.74 1.6 Allowed Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.66 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.69 76.23 6.49 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.898 0.38 . . . . 0.0 110.561 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.46 -16.96 52.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.613 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 7.0 ttm -84.36 -41.55 16.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.846 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 62.9 m-20 -150.17 72.5 9.33 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -78.83 169.89 18.85 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.715 2.276 . . . . 0.0 112.245 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 36.9 m -82.59 -119.06 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.088 0 CA-C-O 121.266 0.555 . . . . 0.0 110.687 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.07 113.56 20.69 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.979 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.597 ' O ' HG23 ' A' ' 46' ' ' THR . 50.1 ttt85 -154.93 78.56 1.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.597 HG23 ' O ' ' A' ' 45' ' ' ARG . 3.5 p . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.943 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.437 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.489 0 CA-C-O 120.722 0.296 . . . . 0.0 110.96 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.573 HG21 ' HB3' ' A' ' 8' ' ' CYS . 6.8 t -94.34 161.56 2.56 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.281 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.94 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.479 ' N ' HG12 ' A' ' 2' ' ' VAL . 14.2 mtt180 -79.47 -166.78 1.03 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.029 -179.372 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 tp -69.05 -27.95 66.1 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.225 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -155.64 72.53 0.8 Allowed 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 121.056 0.455 . . . . 0.0 111.042 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -139.29 163.86 31.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.705 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.3 p -80.09 149.31 30.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.772 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.573 ' HB3' HG21 ' A' ' 2' ' ' VAL . 7.4 p -109.35 -24.02 11.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.268 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.482 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.3 OUTLIER 22.54 82.09 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.983 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 164.47 -25.03 0.18 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.742 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 77.34 -38.42 0.29 Allowed 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.22 34.76 0.8 Allowed 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 120.685 0.278 . . . . 0.0 111.346 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.9 t -141.35 82.3 14.61 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.003 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.4 ' O ' ' HB3' ' A' ' 1' ' ' CYS . 57.2 Cg_endo -72.64 162.02 42.42 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.5 2.134 . . . . 0.0 112.328 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.5 t -64.25 137.19 57.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.347 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.437 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.72 -5.46 37.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.542 179.37 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.472 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 47.2 m-20 -90.55 143.42 29.13 Favored Pre-proline 0 C--O 1.233 0.201 0 CA-C-O 121.006 0.431 . . . . 0.0 111.757 -179.345 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -56.41 132.45 51.93 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.612 2.208 . . . . 0.0 111.81 179.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.1 t 62.51 16.32 8.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.066 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -105.69 130.68 53.66 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-O 120.786 0.326 . . . . 0.0 110.946 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.9 t -136.82 144.17 43.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.6 t -72.12 128.67 36.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.026 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.455 ' CE1' ' HG3' ' A' ' 34' ' ' ARG . 0.5 OUTLIER -128.7 146.65 50.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.77 179.783 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 7.5 m -100.11 140.37 34.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.0 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 -72.34 -10.56 59.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.322 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.491 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.31 -155.02 0.57 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.816 179.647 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.491 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.05 -65.91 0.52 Allowed 'General case' 0 N--CA 1.445 -0.725 0 CA-C-O 120.903 0.382 . . . . 0.0 110.577 179.622 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -156.8 84.29 0.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.706 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -149.9 -82.57 0.1 Allowed 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -84.98 80.4 9.3 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.884 0.373 . . . . 0.0 111.291 -179.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 9.9 m -102.49 114.66 29.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.065 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.478 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.5 OUTLIER -136.2 163.81 29.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.084 179.895 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.6 t -54.74 141.19 33.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.566 -179.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.455 ' HG3' ' CE1' ' A' ' 23' ' ' TYR . 1.8 tmm_? -139.14 123.52 18.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.304 179.268 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.95 25.37 0.95 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.828 -179.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 56.88 108.29 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 121.15 0.5 . . . . 0.0 111.312 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.68 55.66 3.4 Favored Glycine 0 N--CA 1.452 -0.296 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.583 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.9 p -91.0 75.94 6.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.973 0.416 . . . . 0.0 110.645 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.59 -17.31 54.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.482 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 6.3 ttm -84.76 -38.89 19.09 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.929 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -150.56 71.71 9.0 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.077 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.74 155.82 39.63 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.596 2.198 . . . . 0.0 112.414 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 42.1 m -82.45 -117.98 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.082 0 CA-C-O 121.267 0.556 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.06 114.3 20.52 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.036 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 35.5 ttm-85 -155.13 43.96 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.927 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.456 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.463 0 CA-C-O 120.777 0.322 . . . . 0.0 110.898 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.535 HG21 ' HB3' ' A' ' 8' ' ' CYS . 2.8 t -94.14 164.47 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.787 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.451 ' H ' HG12 ' A' ' 2' ' ' VAL . 17.8 mtt180 -78.71 -165.22 0.69 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.055 -179.293 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.0 tp -68.57 -40.95 80.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.032 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -155.63 65.82 0.61 Allowed 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -138.86 169.44 17.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.645 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 67.9 m -61.43 144.82 53.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.773 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.535 ' HB3' HG21 ' A' ' 2' ' ' VAL . 23.9 p -108.82 -23.67 11.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.162 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.446 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.3 OUTLIER 23.42 94.49 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 116.036 -0.529 . . . . 0.0 112.321 179.902 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 163.24 -23.69 0.19 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.775 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 74.03 -54.41 0.68 Allowed 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.598 0.199 . . . . 0.0 111.521 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.851 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -87.59 11.6 14.59 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.594 0.22 . . . . 0.0 111.594 -179.803 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.851 HG23 ' OE1' ' A' ' 12' ' ' GLN . 41.3 t -104.93 86.39 1.49 Allowed Pre-proline 0 C--N 1.332 -0.183 0 CA-C-O 120.715 0.293 . . . . 0.0 111.052 179.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -69.42 161.22 46.74 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.469 2.112 . . . . 0.0 112.198 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.7 t -63.64 140.14 58.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.198 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.456 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -71.87 -5.99 38.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.536 179.772 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.516 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.7 OUTLIER -95.67 138.26 21.81 Favored Pre-proline 0 C--O 1.234 0.25 0 CA-C-O 120.915 0.388 . . . . 0.0 111.554 -179.429 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -54.62 135.17 65.82 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.517 2.145 . . . . 0.0 111.864 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 37.0 t 64.15 13.53 7.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.222 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -106.12 133.88 50.13 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-O 120.726 0.298 . . . . 0.0 110.908 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.8 t -136.4 147.0 47.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 46.1 t -70.6 116.79 11.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.95 0.405 . . . . 0.0 111.206 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -108.76 145.71 34.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.572 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 63.4 m -108.9 126.81 53.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.79 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.408 ' HB3' ' NH1' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -72.71 -12.64 61.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.854 0.359 . . . . 0.0 111.514 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.486 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -146.21 -158.53 0.91 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.926 179.656 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.486 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.85 -65.93 0.53 Allowed 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 120.981 0.419 . . . . 0.0 110.549 179.598 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -155.1 78.42 1.03 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.728 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.06 -69.57 0.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.435 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -84.53 62.45 7.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.933 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 83.2 m -98.56 101.22 12.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.831 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -136.46 164.33 28.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.828 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 10.5 t -53.69 145.06 16.31 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.023 0.439 . . . . 0.0 111.251 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.1 ttt85 -139.26 119.64 13.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.343 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.2 mtpp -84.49 12.36 7.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.699 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 61.03 111.44 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 121.134 0.492 . . . . 0.0 111.18 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.29 54.07 3.55 Favored Glycine 0 N--CA 1.451 -0.325 0 CA-C-N 115.44 -0.8 . . . . 0.0 112.762 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 58.5 p -90.76 77.08 6.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.823 0.344 . . . . 0.0 110.569 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.15 -16.34 43.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.626 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.7 ttm -84.08 -36.8 22.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.785 0.326 . . . . 0.0 110.708 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -150.16 67.74 8.45 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.806 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.68 147.37 27.8 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.631 2.221 . . . . 0.0 112.421 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 39.6 m -82.07 -117.22 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.117 0 CA-C-O 121.188 0.518 . . . . 0.0 110.751 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.2 m -81.59 86.01 6.44 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.028 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -154.99 36.98 0.4 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.084 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.6 m . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.281 -0.866 . . . . 0.0 110.859 -179.962 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.405 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.435 0 CA-C-O 120.755 0.312 . . . . 0.0 110.91 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.583 HG23 HG12 ' A' ' 13' ' ' VAL . 14.3 t -93.46 162.76 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.908 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.503 ' N ' HG12 ' A' ' 2' ' ' VAL . 15.5 mtt85 -78.66 -164.72 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.201 -179.115 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.617 HD11 ' HE2' ' A' ' 35' ' ' LYS . 2.2 tp -68.55 -29.04 67.51 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.339 -179.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -156.66 75.72 0.86 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.215 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -139.47 162.01 36.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.629 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.1 m -76.47 145.51 39.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.989 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.75 ' C ' HD23 ' A' ' 9' ' ' LEU . 25.4 p -112.35 4.35 17.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.499 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.75 HD23 ' C ' ' A' ' 8' ' ' CYS . 1.2 pt? 15.01 104.36 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.585 0.754 . . . . 0.0 112.994 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.67 -18.11 22.64 Favored Glycine 0 CA--C 1.518 0.26 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.65 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 65.94 11.98 8.08 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.624 0.25 . . . . 0.0 111.418 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.798 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -93.65 -20.41 20.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.705 0.288 . . . . 0.0 110.871 179.636 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.798 HG23 ' OE1' ' A' ' 12' ' ' GLN . 22.8 t -101.34 90.68 1.78 Allowed Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.26 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.411 ' HD3' ' O ' ' A' ' 12' ' ' GLN . 40.0 Cg_endo -67.95 158.59 56.69 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.338 2.025 . . . . 0.0 112.05 179.711 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.444 ' SG ' ' HB1' ' A' ' 20' ' ' ALA . 18.0 t -65.13 134.97 54.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.262 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.405 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.99 -1.4 16.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.806 179.555 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.564 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 23.2 m-20 -96.53 140.73 22.33 Favored Pre-proline 0 C--O 1.234 0.267 0 CA-C-O 120.967 0.413 . . . . 0.0 111.803 -179.22 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -55.74 135.13 67.99 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.643 2.229 . . . . 0.0 111.631 179.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.8 t 63.42 14.23 7.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.811 -179.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.564 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -104.05 125.49 50.43 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-O 120.886 0.374 . . . . 0.0 110.961 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.1 t -131.72 148.7 52.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.728 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.1 t -71.4 116.43 11.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.156 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.407 ' HB3' ' HB2' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -116.11 147.1 41.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.447 179.786 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 19.3 m -106.54 133.56 51.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.956 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.41 ' HB2' ' HB2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -72.99 -10.32 59.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.359 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.489 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.37 -156.55 0.71 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.907 179.601 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.489 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.4 -67.64 0.28 Allowed 'General case' 0 N--CA 1.445 -0.686 0 CA-C-O 120.847 0.356 . . . . 0.0 110.355 179.487 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -155.0 81.23 1.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.716 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.31 -73.2 0.16 Allowed 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.41 ' HB2' ' HB2' ' A' ' 25' ' ' ARG . 68.4 m-85 -83.91 67.24 9.52 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.886 0.374 . . . . 0.0 111.054 -179.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 56.1 m -97.75 105.03 17.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -135.28 171.83 13.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.156 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.0 t -58.77 139.25 56.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.165 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.407 ' HB2' ' HB3' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -141.37 119.17 11.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.362 179.371 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.617 ' HE2' HD11 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -85.35 23.69 1.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.743 -179.664 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 58.73 109.8 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.157 0.503 . . . . 0.0 111.265 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -80.99 54.86 4.76 Favored Glycine 0 N--CA 1.451 -0.308 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.701 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 31.8 p -92.53 78.24 4.96 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-O 120.964 0.412 . . . . 0.0 110.43 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.56 -14.91 22.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.794 -179.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 18.5 ttm -83.1 -39.12 21.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.833 0.349 . . . . 0.0 110.87 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.5 m-20 -151.85 70.28 7.89 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.203 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -73.42 160.27 44.97 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.546 2.164 . . . . 0.0 112.13 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 48.4 m -81.76 -116.81 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.087 0 CA-C-O 121.181 0.515 . . . . 0.0 110.833 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.4 t -81.09 84.11 6.6 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.045 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.07 101.97 2.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.841 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.466 ' OXT' HG22 ' A' ' 46' ' ' THR . 6.2 m . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.834 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.427 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.445 0 CA-C-O 120.705 0.288 . . . . 0.0 110.994 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.543 ' CG2' HG12 ' A' ' 13' ' ' VAL . 5.0 t -93.55 163.4 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.741 179.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.468 ' N ' HG12 ' A' ' 2' ' ' VAL . 40.6 mtt180 -78.54 -165.04 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 -179.187 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.425 HD11 ' HD2' ' A' ' 35' ' ' LYS . 6.1 tp -68.5 -34.94 76.79 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.173 -179.612 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.86 75.33 0.96 Allowed 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.051 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -138.75 165.12 27.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.579 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 52.4 p -75.96 145.21 40.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.98 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 9' ' ' LEU . 31.4 p -108.04 -23.85 11.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.013 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.536 HD12 ' O ' ' A' ' 9' ' ' LEU . 1.4 pp 23.53 94.73 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.12 0.568 . . . . 0.0 112.517 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 146.1 -27.47 1.72 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.466 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 76.48 -23.24 0.25 Allowed 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.608 ' NE2' HG23 ' A' ' 13' ' ' VAL . 0.9 OUTLIER -94.6 32.25 1.63 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.735 0.303 . . . . 0.0 111.049 179.609 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.608 HG23 ' NE2' ' A' ' 12' ' ' GLN . 24.8 t -140.53 83.23 15.19 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.977 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.402 ' O ' ' HB3' ' A' ' 1' ' ' CYS . 45.7 Cg_endo -70.85 158.23 56.1 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.452 2.101 . . . . 0.0 112.291 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.7 t -65.29 137.47 57.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.322 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.427 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.31 -6.29 42.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.36 179.422 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.486 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 4.9 m-20 -91.72 141.33 25.55 Favored Pre-proline 0 C--O 1.234 0.24 0 CA-C-O 120.831 0.348 . . . . 0.0 111.696 -179.355 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -56.48 133.43 57.99 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.608 2.206 . . . . 0.0 111.729 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 45.2 t 63.65 14.33 8.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -105.3 132.03 52.0 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-O 120.753 0.311 . . . . 0.0 110.83 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.9 t -139.98 149.9 43.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.984 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 18.9 t -72.09 133.63 45.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.869 0.366 . . . . 0.0 111.029 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.42 ' HB2' ' HD3' ' A' ' 34' ' ' ARG . 50.8 t80 -139.2 147.77 42.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.566 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.432 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 12.9 m -100.67 135.52 41.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.87 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.3 -10.69 60.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.249 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.5 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.87 -154.83 0.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.918 179.524 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.5 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.98 -67.56 0.28 Allowed 'General case' 0 N--CA 1.445 -0.702 0 CA-C-O 120.901 0.382 . . . . 0.0 110.477 179.559 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -155.4 82.79 1.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.699 179.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.65 -75.84 0.14 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.76 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.432 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 1.8 m-85 -84.1 70.03 10.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.147 -179.375 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 28.9 m -97.65 103.52 15.46 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.966 179.749 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 26.7 p90 -136.28 165.75 25.04 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.121 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.5 t -55.0 146.64 17.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.093 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.42 ' HD3' ' HB2' ' A' ' 23' ' ' TYR . 1.4 ptt85 -137.35 129.27 28.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.375 179.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.425 ' HD2' HD11 ' A' ' 4' ' ' LEU . 5.0 mtpp -84.37 10.46 10.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.633 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.89 110.26 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 121.235 0.54 . . . . 0.0 111.271 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -86.98 54.7 4.59 Favored Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.506 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -89.42 74.74 7.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.842 0.353 . . . . 0.0 110.782 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.23 -18.33 60.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.367 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.3 tpp -84.96 -40.61 16.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.899 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -149.99 71.84 9.46 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.934 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -82.02 164.62 17.59 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.621 2.214 . . . . 0.0 112.28 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 44.7 m -82.15 -117.74 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.068 0 CA-C-O 121.207 0.527 . . . . 0.0 110.731 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 m -82.05 122.48 27.88 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.06 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 -154.84 82.08 1.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.932 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.406 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.504 0 CA-C-O 120.67 0.272 . . . . 0.0 110.834 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.595 HG23 HG12 ' A' ' 13' ' ' VAL . 5.9 t -94.16 162.69 2.37 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.292 0 CA-C-O 120.877 0.37 . . . . 0.0 111.046 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.475 ' N ' HG12 ' A' ' 2' ' ' VAL . 0.7 OUTLIER -78.04 -163.14 0.39 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.989 -179.388 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.1 tp -66.88 -31.9 72.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.153 -179.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -155.23 81.26 1.06 Allowed 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.219 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -139.13 171.55 14.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.505 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 98.4 p -88.63 149.13 23.69 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.909 0.385 . . . . 0.0 111.205 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 9' ' ' LEU . 26.7 p -119.24 -2.84 10.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.293 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.582 ' N ' HD23 ' A' ' 9' ' ' LEU . 0.2 OUTLIER 24.58 97.26 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.486 ' O ' ' CG ' ' A' ' 11' ' ' GLN . . . 111.86 -5.95 27.52 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.973 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.486 ' CG ' ' O ' ' A' ' 10' ' ' GLY . 3.4 pt20 57.51 18.99 4.91 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.312 0.245 . . . . 0.0 111.461 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' ' 10' ' ' GLY . 0.0 OUTLIER -89.74 -24.84 21.43 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 120.943 0.401 . . . . 0.0 110.643 179.526 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.595 HG12 HG23 ' A' ' 2' ' ' VAL . 21.9 t -101.75 92.36 2.84 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.425 -179.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -68.8 158.38 58.06 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.343 2.029 . . . . 0.0 112.18 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.5 t -65.19 133.03 50.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.416 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.406 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.92 -3.89 28.66 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.319 179.296 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.488 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.6 OUTLIER -91.08 141.39 26.39 Favored Pre-proline 0 C--O 1.233 0.231 0 CA-C-O 120.913 0.387 . . . . 0.0 111.615 -179.315 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -55.83 134.26 62.99 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.616 2.21 . . . . 0.0 111.826 179.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.1 t 63.29 14.49 7.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -107.18 130.12 54.76 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-O 120.789 0.328 . . . . 0.0 110.944 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.8 t -136.3 142.71 43.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.798 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.4 t -74.05 125.27 27.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.071 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.471 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 0.3 OUTLIER -131.11 153.29 49.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.705 179.509 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.479 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 6.4 m -99.1 138.68 35.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.139 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.1 -9.15 58.42 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.361 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.533 ' CD2' ' CZ ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -142.99 -157.43 0.77 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.738 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.533 ' CZ ' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.98 -66.56 0.41 Allowed 'General case' 0 N--CA 1.446 -0.674 0 CA-C-O 120.872 0.368 . . . . 0.0 110.378 179.644 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -156.3 83.15 0.99 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.749 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.01 -80.26 0.11 Allowed 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.494 ' CD1' ' CE2' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -84.12 79.44 9.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.855 0.36 . . . . 0.0 111.232 -179.483 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.479 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 7.7 m -102.59 114.39 28.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.062 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.494 ' CE2' ' CD1' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -138.35 166.21 24.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.258 179.852 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.6 t -56.42 141.49 42.01 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.269 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.471 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -138.09 125.57 21.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.268 179.379 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.69 30.73 0.63 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.683 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 54.78 106.24 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 121.07 0.462 . . . . 0.0 111.546 179.577 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.86 57.37 3.08 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.514 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.1 75.89 7.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.913 0.387 . . . . 0.0 110.64 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.46 -17.13 53.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.483 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 48.6 ttm -84.3 -47.4 10.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.832 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 -150.31 78.26 7.88 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.141 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_endo -78.22 165.6 25.57 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.674 2.249 . . . . 0.0 112.242 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 44.8 m -82.24 -117.98 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.095 0 CA-C-O 121.184 0.516 . . . . 0.0 110.844 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 m -82.17 85.11 6.85 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.076 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.83 78.13 1.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.412 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.51 0 CA-C-O 120.77 0.319 . . . . 0.0 110.788 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.76 HG21 ' HB3' ' A' ' 8' ' ' CYS . 15.4 t -93.27 161.11 2.6 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.22 0 CA-C-O 120.931 0.396 . . . . 0.0 110.69 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.497 ' N ' HG12 ' A' ' 2' ' ' VAL . 46.6 mtt180 -78.73 -165.16 0.68 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.119 -179.127 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.537 HD12 ' OD2' ' A' ' 17' ' ' ASP . 3.6 tp -68.9 -29.43 67.7 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.241 -179.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.529 ' HD2' HD23 ' A' ' 4' ' ' LEU . 63.3 m-70 -154.75 72.46 0.85 Allowed 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.17 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -137.88 164.47 28.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.524 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 36.0 t -84.13 142.39 30.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.887 0.375 . . . . 0.0 111.227 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.76 ' HB3' HG21 ' A' ' 2' ' ' VAL . 16.4 p -110.27 -24.54 10.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.188 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.678 HD12 ' O ' ' A' ' 9' ' ' LEU . 0.6 OUTLIER 26.24 94.2 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.189 0.595 . . . . 0.0 112.366 -179.82 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.19 -27.91 0.89 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.464 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 74.81 -11.87 1.0 Allowed 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.797 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -93.47 -15.94 25.03 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.644 0.259 . . . . 0.0 111.077 179.614 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.797 HG23 ' OE1' ' A' ' 12' ' ' GLN . 32.1 t -104.66 85.37 1.15 Allowed Pre-proline 0 C--N 1.332 -0.186 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.411 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.414 ' HD3' ' O ' ' A' ' 12' ' ' GLN . 58.8 Cg_endo -72.18 164.01 36.95 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.482 2.122 . . . . 0.0 112.151 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.9 t -64.28 137.03 57.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.955 0.407 . . . . 0.0 111.106 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.412 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.17 -5.55 36.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.459 179.684 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.537 ' OD2' HD12 ' A' ' 4' ' ' LEU . 87.3 m-20 -87.61 142.12 32.59 Favored Pre-proline 0 C--O 1.233 0.216 0 CA-C-O 120.865 0.364 . . . . 0.0 111.529 -179.448 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -56.23 133.34 57.45 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.465 2.11 . . . . 0.0 111.613 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.5 t 63.02 15.85 8.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -106.75 128.82 54.55 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.871 0.367 . . . . 0.0 111.166 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.6 t -133.57 156.49 47.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.335 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.84 138.72 50.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.968 0.413 . . . . 0.0 111.166 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -138.79 138.41 37.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.325 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 16.0 m -100.16 134.74 42.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.173 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.57 -10.05 59.32 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.266 179.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -144.58 -156.18 0.67 Allowed 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.636 179.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -67.99 0.24 Allowed 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 120.979 0.418 . . . . 0.0 110.327 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -156.21 81.69 0.99 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.791 179.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.63 -72.78 0.14 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.77 0.319 . . . . 0.0 111.773 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -83.88 69.74 10.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.906 0.384 . . . . 0.0 111.064 -179.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 19.3 m -99.42 110.46 22.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -135.4 175.16 9.84 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 12.6 t -57.13 139.36 52.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.134 0.492 . . . . 0.0 111.453 -179.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.18 112.3 8.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.605 179.265 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.94 30.09 0.53 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -179.11 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 55.97 108.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.316 0.579 . . . . 0.0 111.462 179.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.7 47.61 3.83 Favored Glycine 0 N--CA 1.452 -0.25 0 CA-C-N 115.452 -0.795 . . . . 0.0 112.481 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 37.7 p -91.63 77.88 5.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.352 . . . . 0.0 110.537 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.38 -17.59 44.76 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.417 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 13.8 ttm -84.29 -33.87 23.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.813 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -150.02 63.82 6.48 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.849 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -83.55 158.14 14.41 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.788 2.325 . . . . 0.0 112.39 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 48.7 m -82.29 -118.08 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.047 0 CA-C-O 121.269 0.557 . . . . 0.0 110.703 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 p -82.27 117.88 22.71 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.105 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.6 tpp85 -154.98 34.56 0.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.31 -0.852 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.405 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.799 0.333 . . . . 0.0 110.791 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.602 HG23 HG12 ' A' ' 13' ' ' VAL . 12.8 t -93.67 162.24 2.44 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.27 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.84 179.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.501 ' N ' HG12 ' A' ' 2' ' ' VAL . 44.4 mtt180 -78.42 -168.38 1.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.042 -179.194 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.573 HD21 ' NZ ' ' A' ' 35' ' ' LYS . 2.5 tp -67.83 -26.03 65.86 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.218 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.422 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 0.0 OUTLIER -156.64 74.63 0.82 Allowed 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.017 179.667 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -138.29 165.33 26.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.743 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.8 m -80.14 147.96 31.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.059 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.44 ' O ' ' C ' ' A' ' 9' ' ' LEU . 18.9 p -108.92 -11.36 15.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.366 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.462 HD23 ' O ' ' A' ' 9' ' ' LEU . 2.6 tt 24.56 94.59 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.13 0.572 . . . . 0.0 112.447 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.98 -20.79 7.12 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.553 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 68.14 7.23 5.73 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 111.697 0.258 . . . . 0.0 111.697 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.846 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -94.32 -17.56 22.48 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.613 0.244 . . . . 0.0 110.897 179.585 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.846 HG23 ' OE1' ' A' ' 12' ' ' GLN . 24.1 t -101.92 89.22 1.48 Allowed Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.491 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.423 ' HD3' ' O ' ' A' ' 12' ' ' GLN . 42.0 Cg_endo -68.49 159.0 55.32 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.303 2.002 . . . . 0.0 112.227 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.6 t -64.73 134.98 55.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.295 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.405 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.14 -6.33 41.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.24 179.243 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.474 ' OD2' HD12 ' A' ' 4' ' ' LEU . 4.8 m-20 -85.05 143.35 39.68 Favored Pre-proline 0 C--O 1.233 0.237 0 CA-C-O 120.849 0.357 . . . . 0.0 111.391 -179.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -55.09 133.05 55.94 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.612 2.208 . . . . 0.0 111.869 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 57.58 17.35 3.91 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.404 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -102.37 132.58 48.27 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.803 0.335 . . . . 0.0 110.95 179.615 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.3 t -136.15 146.84 47.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.788 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 16.2 t -73.82 137.76 44.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.015 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.476 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -140.87 153.79 45.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.686 179.704 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 13.2 m -102.86 137.16 41.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.088 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.49 -11.42 60.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.175 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.493 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.63 -154.73 0.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.762 179.695 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.493 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.82 -67.42 0.29 Allowed 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 120.848 0.356 . . . . 0.0 110.502 179.64 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -155.95 82.95 1.01 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.754 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.78 -74.99 0.14 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.728 0.299 . . . . 0.0 111.705 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.418 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 3.3 m-85 -84.58 70.64 10.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.091 -179.601 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 24.3 m -99.08 104.53 16.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.422 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -137.89 169.07 18.42 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.003 0.43 . . . . 0.0 111.223 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.5 t -52.98 144.1 15.7 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.873 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.476 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 0.4 OUTLIER -137.78 114.39 10.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.831 179.19 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.573 ' NZ ' HD21 ' A' ' 4' ' ' LEU . 7.4 mtpt -83.93 14.31 4.19 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.811 -179.37 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 mp 61.47 111.2 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 121.162 0.506 . . . . 0.0 111.199 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.1 54.49 4.73 Favored Glycine 0 N--CA 1.45 -0.379 0 CA-C-N 115.391 -0.822 . . . . 0.0 112.652 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 35.4 p -89.54 74.93 7.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.862 0.363 . . . . 0.0 110.493 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.64 -18.47 59.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.406 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -84.7 -32.89 23.3 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.672 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -150.81 67.06 7.72 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.015 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.99 167.57 27.01 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.398 2.066 . . . . 0.0 112.097 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 36.2 m -82.87 -120.35 0.02 OUTLIER 'General case' 0 N--CA 1.434 -1.242 0 CA-C-O 121.281 0.562 . . . . 0.0 110.822 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.35 64.79 8.54 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.124 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.67 107.03 2.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.887 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.456 ' O ' HG22 ' A' ' 46' ' ' THR . 7.1 m . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.873 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.424 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.465 0 CA-C-O 120.784 0.326 . . . . 0.0 110.798 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.548 HG21 ' HB3' ' A' ' 8' ' ' CYS . 8.4 t -94.23 161.64 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.753 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.473 ' N ' HG12 ' A' ' 2' ' ' VAL . 9.9 mmt85 -79.26 -167.25 1.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.098 -179.118 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 tp -69.81 -23.14 63.28 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.628 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.451 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 0.0 OUTLIER -156.06 41.31 0.38 Allowed 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 120.886 0.374 . . . . 0.0 111.397 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.417 ' HB3' ' CG1' ' A' ' 2' ' ' VAL . 4.5 tm-20 -105.37 160.82 14.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.517 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.6 m -81.87 149.18 28.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.94 0.4 . . . . 0.0 111.31 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.548 ' HB3' HG21 ' A' ' 2' ' ' VAL . 23.4 p -111.69 -15.2 13.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.244 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.3 OUTLIER 26.36 95.03 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.67 -20.35 4.89 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.603 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 67.4 8.4 6.25 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.598 0.237 . . . . 0.0 111.562 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.577 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -95.61 -22.62 17.48 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.777 0.322 . . . . 0.0 110.749 179.496 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.577 HG23 ' OE1' ' A' ' 12' ' ' GLN . 38.2 t -101.83 94.59 4.57 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.351 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.414 ' HD3' ' O ' ' A' ' 12' ' ' GLN . 61.3 Cg_endo -74.17 162.24 39.12 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.352 2.035 . . . . 0.0 112.234 179.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.9 t -65.28 136.57 56.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.134 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.424 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.84 -3.11 23.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.666 179.633 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.462 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -91.74 144.32 29.24 Favored Pre-proline 0 C--O 1.234 0.242 0 CA-C-O 120.932 0.396 . . . . 0.0 111.514 -179.396 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -56.31 132.0 49.21 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.61 2.206 . . . . 0.0 111.883 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.8 t 62.81 15.9 8.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.046 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -104.34 128.08 52.09 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.855 0.36 . . . . 0.0 110.972 179.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.5 t -132.35 153.3 50.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.724 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.4 t -71.35 115.95 11.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.939 0.399 . . . . 0.0 111.305 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -108.93 141.11 41.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.484 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 35.4 m -107.34 132.74 52.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.78 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.68 -11.9 60.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.292 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.498 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -146.14 -157.1 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.966 179.637 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.498 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.59 -65.82 0.55 Allowed 'General case' 0 N--CA 1.446 -0.661 0 CA-C-O 120.949 0.404 . . . . 0.0 110.359 179.608 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -155.45 82.12 1.04 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.722 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.75 -75.17 0.14 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.731 0.3 . . . . 0.0 111.614 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -84.24 68.64 10.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.924 0.393 . . . . 0.0 111.107 -179.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 59.0 m -99.34 107.52 19.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -135.49 170.46 15.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.04 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.7 t -56.83 139.43 51.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.079 0.466 . . . . 0.0 111.23 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -140.07 116.87 10.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.211 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.6 21.74 1.45 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.877 -179.55 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 59.57 110.14 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 121.199 0.523 . . . . 0.0 111.16 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.91 54.99 3.86 Favored Glycine 0 N--CA 1.452 -0.253 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.663 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.38 75.21 6.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.92 0.391 . . . . 0.0 110.71 179.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.06 -17.78 58.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.471 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.9 -41.24 16.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.943 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -149.83 72.96 9.62 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.963 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -78.29 160.47 29.31 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.643 2.228 . . . . 0.0 112.393 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 40.7 m -82.13 -117.48 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.066 0 CA-C-O 121.207 0.527 . . . . 0.0 110.98 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.6 m -81.7 85.92 6.51 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.103 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.4 ' NH1' ' HB2' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -154.96 88.3 1.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.919 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.948 -179.966 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.868 0.366 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.878 HG21 ' HB3' ' A' ' 8' ' ' CYS . 17.0 t -96.13 162.22 2.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.294 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.522 ' N ' HG12 ' A' ' 2' ' ' VAL . 4.8 mmt85 -76.34 -165.79 0.54 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.826 -179.391 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.5 tp -66.83 -32.48 73.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.488 -179.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -155.29 72.85 0.83 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.105 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.426 ' O ' HG11 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -138.74 161.74 36.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.603 179.881 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 97.2 p -75.42 142.32 43.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.848 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.878 ' HB3' HG21 ' A' ' 2' ' ' VAL . 15.6 p -110.29 -25.81 9.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.211 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.8 OUTLIER 25.13 90.98 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.053 -0.521 . . . . 0.0 112.143 -179.848 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.92 -26.26 0.25 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.548 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.433 ' HG2' ' N ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER 77.12 -37.16 0.26 Allowed 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 111.83 0.308 . . . . 0.0 111.83 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.433 ' N ' ' HG2' ' A' ' 11' ' ' GLN . 0.2 OUTLIER -92.57 36.84 1.0 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.8 0.333 . . . . 0.0 111.25 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.425 HG23 ' OE1' ' A' ' 12' ' ' GLN . 28.7 t -140.93 85.22 12.55 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.013 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -69.59 156.74 62.99 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.492 2.128 . . . . 0.0 112.796 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.407 ' HB3' ' O ' ' A' ' 20' ' ' ALA . 53.4 t -64.26 152.93 39.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.185 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.7 m -73.89 1.88 9.73 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.0 -0.546 . . . . 0.0 112.342 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.54 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.5 OUTLIER -111.44 140.66 23.28 Favored Pre-proline 0 C--O 1.234 0.285 0 CA-C-O 121.145 0.498 . . . . 0.0 111.977 -179.006 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -55.36 137.05 76.31 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.616 2.21 . . . . 0.0 111.541 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.9 t 64.88 11.64 7.13 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 -179.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.54 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -103.17 114.94 29.63 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.924 0.392 . . . . 0.0 110.887 179.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.3 t -115.8 155.56 27.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.0 t -72.36 100.51 2.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.009 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -86.89 131.98 33.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.805 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 56.2 m -99.81 128.73 45.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.24 -9.88 59.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.343 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.489 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -144.6 -156.56 0.71 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.818 179.737 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.489 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.03 -70.11 0.12 Allowed 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 120.935 0.397 . . . . 0.0 110.4 179.503 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -154.93 76.42 1.0 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.67 179.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.46 -66.32 0.16 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.639 -179.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -83.82 65.75 8.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.958 0.409 . . . . 0.0 111.122 -179.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 27.8 m -101.56 116.75 33.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.076 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -137.04 167.77 20.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.851 179.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.5 t -55.71 131.58 46.97 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.924 0.392 . . . . 0.0 110.993 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.56 124.47 17.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.418 179.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.47 ' HE3' ' HB2' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -84.88 31.45 0.54 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.719 -179.771 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 57.95 109.24 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 121.162 0.506 . . . . 0.0 111.304 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.11 55.07 2.71 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.552 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.66 77.05 5.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.872 0.367 . . . . 0.0 110.609 179.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.21 -16.72 47.94 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.514 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 14.0 ttm -84.25 -45.63 12.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.881 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -150.1 75.37 8.97 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.066 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -80.69 162.4 21.53 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.733 2.289 . . . . 0.0 112.443 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 50.7 m -82.24 -117.84 0.02 OUTLIER 'General case' 0 N--CA 1.436 -1.139 0 CA-C-O 121.228 0.537 . . . . 0.0 110.849 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.7 m -82.07 110.84 17.67 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.187 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.0 ttm-85 -155.14 70.9 0.77 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.773 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.914 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.426 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.485 0 CA-C-O 120.679 0.276 . . . . 0.0 110.824 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.632 HG21 ' HB3' ' A' ' 8' ' ' CYS . 9.4 t -93.49 161.15 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.778 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.48 ' N ' HG12 ' A' ' 2' ' ' VAL . 4.3 mtt180 -79.61 -167.52 1.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.124 -179.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.8 tp -69.13 -26.97 65.16 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.142 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -156.1 71.7 0.74 Allowed 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 179.68 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -138.78 162.31 35.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.677 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 62.5 p -78.12 144.77 36.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.895 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.632 ' HB3' HG21 ' A' ' 2' ' ' VAL . 29.3 p -110.64 -20.59 12.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.277 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.449 ' N ' HD23 ' A' ' 9' ' ' LEU . 0.4 OUTLIER 25.26 95.2 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 143.94 -28.26 2.0 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.463 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.13 -7.18 1.56 Allowed 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.897 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -95.22 -12.89 25.51 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-O 120.67 0.272 . . . . 0.0 110.959 179.504 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.897 HG23 ' OE1' ' A' ' 12' ' ' GLN . 23.4 t -103.35 87.16 1.27 Allowed Pre-proline 0 C--O 1.233 0.191 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.373 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.424 ' HD3' ' O ' ' A' ' 12' ' ' GLN . 55.3 Cg_endo -70.29 161.75 44.87 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.446 2.097 . . . . 0.0 112.238 179.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.9 t -64.67 135.07 55.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.963 0.411 . . . . 0.0 111.285 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.426 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.85 -4.72 33.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.403 179.393 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.534 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.4 OUTLIER -93.27 138.95 22.89 Favored Pre-proline 0 C--O 1.234 0.252 0 CA-C-O 120.95 0.405 . . . . 0.0 111.69 -179.299 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -55.01 136.26 72.2 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.559 2.173 . . . . 0.0 111.728 179.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.5 t 64.19 12.67 7.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 -179.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -108.74 132.31 54.09 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-O 120.845 0.355 . . . . 0.0 111.133 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.6 t -138.33 144.13 40.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.445 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.4 t -71.67 147.12 47.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.963 0.411 . . . . 0.0 111.109 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.477 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -156.5 153.76 29.27 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.716 179.717 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 33.5 m -99.55 125.55 45.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.214 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.406 ' HB2' ' HB3' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -73.64 -8.65 56.84 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.495 179.672 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.496 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -144.08 -155.49 0.61 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.926 179.823 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.496 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.59 -71.45 0.09 Allowed 'General case' 0 N--CA 1.445 -0.701 0 CA-C-O 120.955 0.407 . . . . 0.0 110.488 179.639 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.7 p-10 -155.5 74.06 0.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.698 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.99 -58.83 0.14 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.749 0.309 . . . . 0.0 111.696 -179.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.43 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 16.4 m-85 -84.52 57.84 4.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.003 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.477 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 25.1 m -96.66 99.38 10.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 16.3 p90 -138.77 175.97 9.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.426 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.3 t -59.88 143.95 50.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.426 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.469 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -138.84 118.97 13.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.973 179.375 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.42 31.85 0.51 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.917 -179.403 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 55.5 107.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.134 0.492 . . . . 0.0 111.465 179.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.45 56.76 3.74 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.503 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.52 75.74 6.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.89 0.376 . . . . 0.0 110.636 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.7 -16.99 53.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.443 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 5.9 ttm -84.37 -45.51 12.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.831 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -150.45 76.67 8.32 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.088 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -78.76 165.9 24.13 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.634 2.222 . . . . 0.0 112.391 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 50.3 m -82.19 -117.66 0.02 OUTLIER 'General case' 0 N--CA 1.439 -1.023 0 CA-C-O 121.153 0.501 . . . . 0.0 110.78 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.94 122.05 27.27 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.128 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.568 ' O ' HG23 ' A' ' 46' ' ' THR . 4.4 mmt180 -155.17 84.06 1.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.568 HG23 ' O ' ' A' ' 45' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.165 -0.921 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 2.4 p . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.886 0.374 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.677 HG12 ' HB3' ' A' ' 6' ' ' GLU . 0.9 OUTLIER -100.35 168.53 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.123 -179.91 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.445 ' H ' HG12 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -81.65 -176.88 6.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.494 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.537 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 17.9 tp -72.55 -52.85 13.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.859 0.361 . . . . 0.0 111.134 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -92.99 21.33 5.84 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.247 -0.433 . . . . 0.0 112.039 -179.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.677 ' HB3' HG12 ' A' ' 2' ' ' VAL . 21.8 tt0 -108.32 162.87 13.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.175 0.512 . . . . 0.0 111.889 -179.35 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.474 ' O ' HG11 ' A' ' 2' ' ' VAL . 1.6 m -100.71 159.56 15.08 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.632 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.416 ' O ' ' C ' ' A' ' 9' ' ' LEU . 20.5 p -112.16 -23.0 10.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.46 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER 29.44 89.13 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.945 -179.69 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 141.02 -20.71 2.66 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.856 -0.687 . . . . 0.0 112.536 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 70.03 4.52 4.85 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.636 ' NE2' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -98.88 -19.32 17.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.721 0.296 . . . . 0.0 110.952 179.408 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.636 HG23 ' NE2' ' A' ' 12' ' ' GLN . 0.8 OUTLIER -102.92 94.56 5.46 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.299 -179.669 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -73.47 155.47 50.45 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.4 2.067 . . . . 0.0 112.838 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.9 t -66.97 144.55 56.14 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.588 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.8 m -72.88 -10.76 60.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.363 179.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.612 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 1.1 m-20 -84.57 134.84 41.6 Favored Pre-proline 0 C--N 1.331 -0.211 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -178.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -56.51 135.24 69.23 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.522 2.148 . . . . 0.0 111.223 179.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.576 ' O ' HD12 ' A' ' 36' ' ' LEU . 44.1 t 63.33 15.03 8.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.61 -179.089 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.612 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -104.82 110.22 22.49 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-O 120.867 0.365 . . . . 0.0 110.733 179.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 t -112.5 152.31 28.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.61 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.0 t -73.07 121.08 19.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.419 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 10.5 t80 -112.21 139.45 47.74 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.722 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 60.8 m -97.69 118.03 33.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.67 -6.95 49.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.704 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.496 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -143.54 -157.89 0.82 Allowed 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 179.702 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.496 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.2 -70.82 0.1 Allowed 'General case' 0 N--CA 1.445 -0.676 0 CA-C-O 120.958 0.409 . . . . 0.0 110.487 179.683 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -155.39 68.22 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.64 179.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -153.27 -50.57 0.1 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.585 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.412 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 7.0 m-85 -85.39 53.7 2.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.821 0.343 . . . . 0.0 111.11 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 29.3 m -97.83 104.73 16.79 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.449 ' HA ' ' HA ' ' A' ' 7' ' ' SER . 4.2 p90 -136.5 174.5 10.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.519 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.537 ' HB3' ' O ' ' A' ' 4' ' ' LEU . 43.2 t -52.61 131.78 34.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.528 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -137.73 137.18 38.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.188 179.028 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -83.6 33.12 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -179.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.576 HD12 ' O ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER 51.93 104.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.174 0.511 . . . . 0.0 111.696 179.349 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.63 58.18 2.97 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.447 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -89.31 74.89 7.81 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.896 0.379 . . . . 0.0 110.677 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.71 -17.68 56.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.397 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.4 mmt -84.63 -46.64 11.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.765 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -150.36 78.3 7.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.199 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -78.53 165.47 25.08 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.627 2.218 . . . . 0.0 111.956 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 47.4 m -82.56 -119.46 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.115 0 CA-C-O 121.336 0.589 . . . . 0.0 110.755 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.66 119.18 24.44 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.035 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.19 107.73 2.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.957 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.417 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.504 0 CA-C-O 120.73 0.3 . . . . 0.0 110.916 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.497 HG21 ' HB3' ' A' ' 8' ' ' CYS . 2.8 t -92.96 165.8 1.86 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.266 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.545 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.464 ' H ' HG12 ' A' ' 2' ' ' VAL . 0.2 OUTLIER -78.08 -171.32 2.28 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.058 -179.217 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 27.3 tp -67.77 -35.46 78.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.843 0.354 . . . . 0.0 111.218 -179.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.07 66.74 0.72 Allowed 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.142 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -139.48 160.05 40.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.719 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.0 p -62.31 147.67 47.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.803 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.497 ' HB3' HG21 ' A' ' 2' ' ' VAL . 30.0 p -107.6 -25.73 11.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.212 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.732 HD23 ' O ' ' A' ' 9' ' ' LEU . 8.0 tt 22.59 93.47 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.327 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.05 -24.1 0.28 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.649 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 75.32 -47.92 0.61 Allowed 'General case' 0 N--CA 1.464 0.263 0 O-C-N 122.804 -0.233 . . . . 0.0 111.503 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -90.35 36.83 0.89 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.857 0.361 . . . . 0.0 111.125 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.7 t -137.55 83.47 25.3 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.998 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -72.16 161.14 45.46 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.563 2.175 . . . . 0.0 112.457 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.4 t -64.42 138.25 58.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.304 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.417 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.83 -3.93 28.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.649 179.656 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.576 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.7 OUTLIER -97.14 138.03 21.23 Favored Pre-proline 0 C--O 1.234 0.285 0 CA-C-O 120.917 0.389 . . . . 0.0 111.66 -179.245 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -55.1 136.18 72.03 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.602 2.201 . . . . 0.0 111.683 179.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.408 ' O ' HD12 ' A' ' 36' ' ' LEU . 46.5 t 63.86 13.35 7.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.827 -179.381 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.576 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -106.85 132.34 52.92 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-O 120.856 0.36 . . . . 0.0 110.898 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.8 t -138.87 145.83 40.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.9 t -72.38 115.29 11.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.073 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.448 ' CD1' ' HG3' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -112.9 149.28 33.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.583 179.802 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 34.7 m -105.43 132.51 51.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.892 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.79 -11.67 60.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.308 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.52 ' CD2' ' CZ ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -145.14 -158.72 0.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 179.697 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.52 ' CZ ' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.6 -65.46 0.61 Allowed 'General case' 0 N--CA 1.444 -0.762 0 CA-C-O 120.837 0.351 . . . . 0.0 110.429 179.607 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -154.38 81.85 1.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.759 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.56 -74.98 0.13 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.698 0.285 . . . . 0.0 111.684 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -83.71 68.27 9.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.998 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 56.5 m -99.06 105.12 17.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.96 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -137.04 164.43 28.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.021 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.406 ' SG ' ' HB1' ' A' ' 20' ' ' ALA . 3.6 t -57.06 144.03 36.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.195 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.448 ' HG3' ' CD1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -138.77 130.11 27.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.317 179.622 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.81 20.31 1.84 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.826 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.408 HD12 ' O ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER 58.44 109.07 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.109 0.481 . . . . 0.0 111.339 179.882 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -84.83 50.69 4.44 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.601 -0.727 . . . . 0.0 112.585 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 62.1 p -91.31 77.0 5.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 0.0 110.576 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.29 -17.37 53.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.488 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 6.7 mtp -84.34 -34.97 23.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.897 0.38 . . . . 0.0 110.774 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -150.3 65.84 7.47 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.95 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -79.97 157.58 23.86 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.751 2.3 . . . . 0.0 112.38 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 50.7 m -81.98 -117.69 0.02 OUTLIER 'General case' 0 N--CA 1.439 -0.996 0 CA-C-O 121.268 0.556 . . . . 0.0 110.802 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.08 111.89 18.63 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.003 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.1 tpp85 -154.92 88.51 1.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.954 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.862 -179.865 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.447 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 120.823 0.344 . . . . 0.0 110.932 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.86 HG21 ' HB3' ' A' ' 8' ' ' CYS . 13.6 t -95.56 161.74 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.748 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.498 ' N ' HG12 ' A' ' 2' ' ' VAL . 72.9 mtt180 -79.33 -171.88 2.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.113 -179.317 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 tp -67.92 -28.76 67.76 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.346 -179.532 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -155.31 65.41 0.63 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 121.074 0.464 . . . . 0.0 111.176 179.902 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -140.76 156.66 46.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.677 179.73 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.501 ' OG ' HD23 ' A' ' 9' ' ' LEU . 6.2 t -63.54 148.34 49.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.698 179.834 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.86 ' HB3' HG21 ' A' ' 2' ' ' VAL . 29.9 p -109.48 -24.3 11.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.33 -179.742 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.501 HD23 ' OG ' ' A' ' 7' ' ' SER . 0.4 OUTLIER 22.91 91.42 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 122.757 0.423 . . . . 0.0 112.078 -179.866 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.455 ' O ' ' HB2' ' A' ' 11' ' ' GLN . . . 161.52 -19.92 0.19 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.879 -179.82 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.455 ' HB2' ' O ' ' A' ' 10' ' ' GLY . 9.4 mm-40 70.33 -47.14 0.62 Allowed 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -85.41 5.36 31.3 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 -179.628 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.4 t -106.73 83.54 1.28 Allowed Pre-proline 0 C--N 1.331 -0.203 0 CA-C-O 120.758 0.313 . . . . 0.0 111.205 179.94 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -72.17 163.12 39.7 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.474 2.116 . . . . 0.0 112.124 179.783 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.2 t -63.86 140.67 58.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.044 0.45 . . . . 0.0 111.145 -179.91 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.447 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -71.55 -7.49 48.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.358 179.773 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.473 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -85.43 139.95 36.13 Favored Pre-proline 0 CA--C 1.531 0.212 0 CA-C-O 120.842 0.353 . . . . 0.0 111.311 -179.506 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -55.54 132.05 49.82 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.435 2.09 . . . . 0.0 111.9 179.575 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 34.0 t 62.62 16.87 9.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.18 -179.634 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -104.95 136.86 43.65 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.775 0.322 . . . . 0.0 110.945 179.789 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.0 t -136.95 150.77 48.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.929 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 18.8 t -72.38 121.24 19.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.241 -179.838 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -107.64 138.42 43.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.615 179.615 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.6 m -103.69 132.9 49.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.958 -179.829 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.6 -11.34 60.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.253 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.514 ' CD2' ' CZ ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -144.81 -158.69 0.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 179.681 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.514 ' CZ ' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.57 -65.68 0.57 Allowed 'General case' 0 N--CA 1.446 -0.632 0 CA-C-O 120.859 0.362 . . . . 0.0 110.322 179.511 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -155.44 81.47 1.04 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.657 179.566 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.39 -75.12 0.14 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.739 0.304 . . . . 0.0 111.505 -179.707 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -83.74 71.77 10.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.857 0.36 . . . . 0.0 110.941 -179.599 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 38.3 m -102.24 115.21 30.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.126 -179.858 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -137.27 162.77 32.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.54 179.569 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 9.9 t -52.29 139.87 23.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.926 0.393 . . . . 0.0 111.259 -179.848 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.32 127.52 26.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.38 179.625 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.9 mtmt -84.26 12.32 6.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.801 -179.612 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.87 111.74 0.02 OUTLIER 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 121.218 0.532 . . . . 0.0 111.148 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.82 54.02 3.36 Favored Glycine 0 CA--C 1.518 0.219 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.655 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.9 p -91.07 76.88 6.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.86 0.362 . . . . 0.0 110.56 179.827 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.33 -17.28 53.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.453 -179.741 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -83.92 -36.6 23.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.872 0.368 . . . . 0.0 110.866 179.898 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -150.36 67.72 8.3 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -77.77 140.93 18.93 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.611 2.207 . . . . 0.0 112.582 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 37.6 m -82.29 -118.18 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.071 0 CA-C-O 121.179 0.514 . . . . 0.0 110.856 179.909 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.21 78.04 8.93 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.004 -179.85 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -154.85 56.32 0.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.87 -179.863 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.423 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.698 0.285 . . . . 0.0 110.806 . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.568 HG21 ' HB3' ' A' ' 8' ' ' CYS . 9.0 t -92.97 161.89 2.48 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.273 0 CA-C-O 120.85 0.357 . . . . 0.0 110.782 179.84 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.483 ' N ' HG12 ' A' ' 2' ' ' VAL . 57.4 mtt180 -78.82 -167.18 1.04 Allowed 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.102 -179.261 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.678 HD11 ' CE ' ' A' ' 35' ' ' LYS . 8.9 tp -69.58 -27.4 65.08 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.192 -179.803 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -155.5 69.59 0.7 Allowed 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.907 179.821 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -138.47 162.18 35.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.695 179.874 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.0 p -78.85 154.4 29.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 -179.893 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.568 ' HB3' HG21 ' A' ' 2' ' ' VAL . 2.6 p -112.32 -7.81 13.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.343 179.745 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.527 ' N ' HD23 ' A' ' 9' ' ' LEU . 0.3 OUTLIER 24.48 95.21 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -179.994 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 127.67 -24.23 5.23 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.577 179.842 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.55 -5.48 1.98 Allowed 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -179.932 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -94.5 25.47 3.92 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.78 0.324 . . . . 0.0 111.017 179.596 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.474 HG12 HG23 ' A' ' 2' ' ' VAL . 24.5 t -141.31 88.27 10.09 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.25 -179.747 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -68.23 159.82 51.56 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.454 2.103 . . . . 0.0 112.12 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.8 t -63.96 133.67 53.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.268 -179.825 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.423 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.15 -5.69 37.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.215 179.125 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.657 ' OD2' HD12 ' A' ' 4' ' ' LEU . 28.0 m-20 -91.62 136.69 26.3 Favored Pre-proline 0 C--O 1.234 0.282 0 CA-C-O 120.873 0.368 . . . . 0.0 111.502 -179.422 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -54.58 136.13 69.21 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.57 2.18 . . . . 0.0 111.804 179.458 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.5 t 64.71 12.26 7.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.096 -179.438 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -108.96 134.74 51.21 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 120.75 0.309 . . . . 0.0 110.918 179.817 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.6 t -139.71 145.39 38.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.871 0.367 . . . . 0.0 111.078 -179.933 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.1 t -73.8 130.49 40.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.962 179.829 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.463 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 0.5 OUTLIER -132.35 148.79 52.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.78 179.659 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 21.5 m -103.79 132.47 50.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.959 -179.913 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -73.27 -10.44 59.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.346 179.836 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.499 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.6 -155.75 0.64 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.8 179.645 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.499 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.98 -68.44 0.2 Allowed 'General case' 0 N--CA 1.446 -0.659 0 CA-C-O 120.914 0.388 . . . . 0.0 110.308 179.533 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -154.87 81.53 1.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.728 179.584 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.76 -72.68 0.15 Allowed 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 121.0 -0.28 . . . . 0.0 111.71 -179.66 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.411 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -83.95 66.0 8.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.932 0.396 . . . . 0.0 111.049 -179.61 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 39.9 m -97.47 103.94 15.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.684 179.806 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.453 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 1.3 p90 -137.71 163.94 30.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.936 0.398 . . . . 0.0 111.465 -179.717 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.8 t -56.44 145.28 28.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.285 -179.729 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.463 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 2.1 ttt180 -137.4 128.3 27.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.542 179.553 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.678 ' CE ' HD11 ' A' ' 4' ' ' LEU . 2.2 mtpm? -84.43 14.75 4.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.778 -179.729 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.82 110.94 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 121.167 0.508 . . . . 0.0 111.056 179.833 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.87 54.42 3.79 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.712 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 39.5 p -91.38 76.39 5.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.929 0.395 . . . . 0.0 110.621 179.73 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.47 -17.68 55.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.544 -179.793 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.9 mtp -84.34 -35.19 23.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.745 179.956 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 16.8 m-20 -150.04 66.9 8.2 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.86 147.36 30.74 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.56 2.173 . . . . 0.0 112.443 -179.936 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 39.4 m -82.01 -117.41 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.092 0 CA-C-O 121.236 0.541 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.68 97.56 7.97 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.042 -179.791 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -154.66 42.68 0.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.709 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.809 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.9 p . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.702 0.286 . . . . 0.0 111.321 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.567 HG23 HG12 ' A' ' 13' ' ' VAL . 5.6 t -95.54 162.69 2.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 -179.779 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.484 ' N ' HG12 ' A' ' 2' ' ' VAL . 83.3 mtt180 -78.64 -166.42 0.87 Allowed 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.069 -179.588 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.3 tp -69.51 -25.64 64.14 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.615 -179.55 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.4 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 0.0 OUTLIER -155.13 70.42 0.75 Allowed 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 120.892 0.377 . . . . 0.0 111.319 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.458 ' O ' HG11 ' A' ' 2' ' ' VAL . 8.8 tp10 -140.08 158.96 43.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.564 179.576 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.6 152.38 31.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.258 -179.623 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.51 ' HB3' HG21 ' A' ' 2' ' ' VAL . 31.2 p -112.95 -11.62 13.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.366 179.863 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.48 ' N ' HD23 ' A' ' 9' ' ' LEU . 0.2 OUTLIER 27.07 95.73 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.083 0.553 . . . . 0.0 112.384 -179.924 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.461 ' O ' ' CG ' ' A' ' 11' ' ' GLN . . . 120.61 -5.35 11.73 Favored Glycine 0 C--N 1.33 0.22 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.62 -179.931 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.461 ' CG ' ' O ' ' A' ' 10' ' ' GLY . 7.8 pt20 51.7 20.65 1.16 Allowed 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.576 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -100.51 -23.75 14.63 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.859 0.361 . . . . 0.0 110.754 179.304 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.576 HG23 ' OE1' ' A' ' 12' ' ' GLN . 34.8 t -99.77 100.89 12.06 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.553 -179.79 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -75.72 160.81 37.42 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.266 1.977 . . . . 0.0 112.14 179.592 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.3 t -65.29 144.96 56.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.299 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 66.2 m -72.52 -5.18 35.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.854 -179.933 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.54 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.9 OUTLIER -99.13 139.68 21.16 Favored Pre-proline 0 C--O 1.233 0.229 0 CA-C-O 121.105 0.479 . . . . 0.0 111.995 -178.881 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -55.65 137.76 79.06 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.476 2.117 . . . . 0.0 111.515 179.204 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.8 t 65.17 10.26 6.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.052 -179.201 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.54 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -105.48 122.33 45.77 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 120.991 0.424 . . . . 0.0 110.818 179.743 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 t -126.64 161.0 29.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.678 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.3 t -71.81 107.36 4.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.239 -179.614 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -95.42 136.42 35.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.586 179.615 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.8 m -109.97 134.72 51.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.953 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.59 -13.69 61.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.31 179.932 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.5 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -146.68 -156.03 0.68 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.973 179.663 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.5 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.57 -64.93 0.71 Allowed 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 120.929 0.395 . . . . 0.0 110.568 179.652 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -155.68 83.86 1.03 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.644 179.656 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -149.95 -78.0 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.498 -179.765 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -84.73 69.18 10.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.942 0.401 . . . . 0.0 110.926 -179.806 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 66.9 m -98.79 107.39 19.82 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.985 -179.869 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.442 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 1.2 p90 -135.7 166.41 23.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 179.834 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.9 t -53.55 137.69 35.91 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.005 0.431 . . . . 0.0 111.23 -179.695 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -141.32 122.84 15.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.326 179.44 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.99 22.67 1.13 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.791 -179.655 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 58.71 109.26 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.325 0 CA-C-O 121.213 0.53 . . . . 0.0 111.258 179.755 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.48 55.92 4.42 Favored Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 115.527 -0.761 . . . . 0.0 112.633 179.898 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.02 75.86 7.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.881 0.372 . . . . 0.0 110.558 179.885 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.59 -17.52 55.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.332 -179.8 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 32.5 tpp -84.2 -44.75 13.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.825 179.894 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -150.03 75.2 9.07 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.986 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -80.53 164.05 21.33 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.654 2.236 . . . . 0.0 112.315 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 48.5 m -82.16 -117.42 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.056 0 CA-C-O 121.218 0.532 . . . . 0.0 110.695 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.6 p -81.78 107.7 14.72 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.993 -179.77 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.94 97.58 1.96 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.415 ' HB3' ' O ' ' A' ' 14' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.474 0 CA-C-O 120.791 0.329 . . . . 0.0 110.841 . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.903 HG21 ' HB3' ' A' ' 8' ' ' CYS . 13.6 t -94.6 161.75 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.0 179.779 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.5 ' N ' HG12 ' A' ' 2' ' ' VAL . 84.2 mtt180 -78.98 -169.23 1.72 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.124 -179.182 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 tp -69.04 -23.24 64.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.547 -179.587 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.462 ' N ' ' CD2' ' A' ' 5' ' ' HIS . 0.0 OUTLIER -156.07 67.94 0.61 Allowed 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 120.972 0.415 . . . . 0.0 111.07 179.846 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.474 ' O ' HG11 ' A' ' 2' ' ' VAL . 0.6 OUTLIER -139.62 159.6 41.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.752 179.863 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 79.5 p -75.83 144.22 41.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.774 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.903 ' HB3' HG21 ' A' ' 2' ' ' VAL . 27.8 p -108.99 -24.31 11.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.225 -179.912 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.503 HD12 ' O ' ' A' ' 9' ' ' LEU . 1.1 pp 23.59 87.09 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.166 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 165.59 -29.12 0.2 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.429 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 78.19 -30.5 0.16 Allowed 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.411 ' O ' ' HD3' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -90.58 -5.56 55.77 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.535 0.207 . . . . 0.0 111.317 179.818 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.6 t -105.82 83.32 1.01 Allowed Pre-proline 0 C--N 1.332 -0.195 0 CA-C-O 120.677 0.275 . . . . 0.0 111.233 -179.926 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.415 ' O ' ' HB3' ' A' ' 1' ' ' CYS . 59.2 Cg_endo -72.66 164.91 34.24 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.455 2.103 . . . . 0.0 112.039 179.866 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.0 t -63.22 137.25 58.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.947 0.404 . . . . 0.0 111.121 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.411 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -71.37 -6.43 40.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.393 179.624 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.447 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.4 OUTLIER -85.09 140.32 36.95 Favored Pre-proline 0 CA--C 1.531 0.249 0 CA-C-O 120.849 0.356 . . . . 0.0 111.234 -179.451 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -54.65 131.96 48.77 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.579 2.186 . . . . 0.0 112.072 179.65 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 23.4 t 63.03 16.35 9.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.351 179.934 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -104.51 136.53 43.89 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.838 0.351 . . . . 0.0 111.016 179.887 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.3 t -135.12 151.12 50.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.84 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.8 t -72.83 119.25 16.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.146 -179.861 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -108.51 137.66 46.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.585 179.588 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 57.8 m -100.11 127.03 46.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.03 -179.825 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.96 -9.62 58.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.507 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.524 ' CD2' ' CZ ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -143.92 -158.45 0.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 179.651 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.524 ' CZ ' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.42 -68.6 0.2 Allowed 'General case' 0 N--CA 1.445 -0.695 0 CA-C-O 120.86 0.362 . . . . 0.0 110.41 179.592 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -155.16 75.48 0.95 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.681 179.57 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -153.09 -63.98 0.15 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.668 -179.799 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -84.3 64.31 8.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.08 -179.73 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 31.9 m -100.66 112.1 24.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 179.907 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -136.07 169.36 17.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.706 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 13.3 t -55.37 138.25 46.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.065 0.459 . . . . 0.0 111.143 -179.83 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -137.0 111.91 8.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.297 179.517 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.46 19.66 1.88 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.874 -179.49 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 60.8 111.53 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 121.212 0.529 . . . . 0.0 111.038 179.879 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.27 53.45 3.1 Favored Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 115.441 -0.8 . . . . 0.0 112.782 -179.942 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.5 p -90.87 76.08 6.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.863 0.364 . . . . 0.0 110.681 179.675 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.28 -18.0 56.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.476 -179.794 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.6 mpp? -84.8 -38.26 19.79 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.801 179.888 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -150.11 78.02 8.13 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.992 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.27 165.04 33.8 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.444 2.096 . . . . 0.0 112.31 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 34.4 m -82.5 -118.89 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.117 0 CA-C-O 121.259 0.552 . . . . 0.0 110.806 -179.939 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.3 m -82.73 80.67 8.76 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.349 -0.842 . . . . 0.0 111.005 -179.789 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 30.9 ttm-85 -154.95 107.26 2.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.983 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.9 m . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.287 -0.863 . . . . 0.0 110.917 -179.916 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.445 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 120.832 0.348 . . . . 0.0 110.834 . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.527 HG21 ' HB3' ' A' ' 8' ' ' CYS . 3.1 t -93.96 164.59 2.06 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.645 179.659 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.447 ' N ' HG12 ' A' ' 2' ' ' VAL . 24.4 mtt180 -78.08 -164.37 0.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.076 -179.226 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.7 tp -68.38 -35.71 78.1 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.333 -179.479 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.84 39.42 0.43 Allowed 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.196 179.825 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -104.77 167.58 9.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.658 179.637 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 28.0 m -68.06 150.04 48.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.782 179.96 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.823 ' C ' HD23 ' A' ' 9' ' ' LEU . 16.8 p -109.13 -23.22 11.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.219 -179.851 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.823 HD23 ' C ' ' A' ' 8' ' ' CYS . 1.6 pt? 17.15 99.13 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.284 0.634 . . . . 0.0 112.569 -179.832 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 154.31 -22.84 0.66 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.631 -179.873 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 74.43 -48.3 0.65 Allowed 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -180.0 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -90.47 36.8 0.89 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.845 0.355 . . . . 0.0 111.16 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.6 t -137.03 84.54 24.82 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.0 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -71.24 162.17 43.36 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.562 2.175 . . . . 0.0 112.397 179.947 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.1 t -63.85 140.28 58.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.402 -179.821 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.445 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.52 -5.77 39.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.523 179.511 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.493 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.8 OUTLIER -95.02 140.37 22.42 Favored Pre-proline 0 C--O 1.234 0.237 0 CA-C-O 120.93 0.395 . . . . 0.0 111.681 -179.27 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -55.62 134.55 64.61 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.614 2.209 . . . . 0.0 111.887 179.505 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.9 t 64.08 13.09 7.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.023 -179.536 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -106.49 134.04 50.25 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.745 0.307 . . . . 0.0 110.889 179.711 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.4 t -140.07 156.02 46.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.6 t -71.77 145.54 48.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.879 0.371 . . . . 0.0 111.006 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.404 ' HB2' ' CD ' ' A' ' 34' ' ' ARG . 57.0 t80 -145.02 134.69 23.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.552 179.933 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 12.6 m -98.83 136.87 38.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.959 -179.865 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.54 -10.73 60.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.208 179.704 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.491 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.4 -154.25 0.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.844 179.591 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.491 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.89 -67.56 0.28 Allowed 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 120.851 0.358 . . . . 0.0 110.42 179.573 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 -156.13 83.5 1.0 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.802 179.63 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.11 -77.55 0.13 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.779 0.289 . . . . 0.0 111.779 -179.745 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.418 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . 14.3 m-85 -83.9 73.06 10.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.805 0.336 . . . . 0.0 111.171 -179.488 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.1 m -100.58 113.94 27.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.36 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.418 ' CE2' ' HB3' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -136.41 166.35 23.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.694 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.3 t -61.28 147.54 44.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.354 -179.794 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.404 ' CD ' ' HB2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -140.55 126.92 19.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.226 179.213 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.87 15.03 4.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.804 -179.499 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.06 110.89 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.325 0 CA-C-O 121.164 0.507 . . . . 0.0 111.022 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -84.42 51.6 4.58 Favored Glycine 0 N--CA 1.451 -0.358 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.684 -179.79 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 29.6 p -91.47 75.92 5.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.816 0.341 . . . . 0.0 110.594 179.771 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.56 -18.76 60.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.415 -179.874 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 10.5 tpp -84.8 -33.22 23.0 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.803 179.927 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -150.11 65.22 7.27 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.927 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -79.02 154.58 25.74 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.651 2.234 . . . . 0.0 112.366 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 41.5 m -81.8 -117.38 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.057 0 CA-C-O 121.282 0.563 . . . . 0.0 110.825 179.937 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 53.1 p -81.78 102.8 11.02 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.129 -179.845 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -155.06 30.86 0.4 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 -179.92 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.447 ' O ' HG22 ' A' ' 46' ' ' THR . 5.3 m . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.985 179.935 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.446 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.467 0 CA-C-O 120.831 0.348 . . . . 0.0 110.88 . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.499 HG21 ' HB3' ' A' ' 8' ' ' CYS . 2.6 t -94.09 166.61 1.76 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.629 179.699 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.498 ' H ' HG12 ' A' ' 2' ' ' VAL . 54.9 mtt180 -77.71 -162.4 0.31 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.971 -179.326 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.693 HD11 ' HD3' ' A' ' 35' ' ' LYS . 35.4 tp -66.99 -44.15 81.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.67 -179.045 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -156.54 75.54 0.86 Allowed 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 120.777 0.322 . . . . 0.0 111.655 -179.826 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.49 ' HG3' HG12 ' A' ' 2' ' ' VAL . 0.3 OUTLIER -141.69 176.0 9.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.662 179.452 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 25.5 p -70.75 138.33 50.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.66 179.76 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.499 ' HB3' HG21 ' A' ' 2' ' ' VAL . 28.5 p -109.01 -26.67 10.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.36 -179.797 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.463 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.3 OUTLIER 23.83 91.68 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.085 -179.958 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 170.65 -25.25 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.855 -179.836 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 75.42 -50.7 0.64 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.645 0.223 . . . . 0.0 111.542 -179.948 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.37 9.32 20.97 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.592 0.219 . . . . 0.0 111.592 -179.752 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.3 t -106.27 83.72 1.21 Allowed Pre-proline 0 C--N 1.332 -0.186 0 CA-C-O 120.631 0.253 . . . . 0.0 111.09 179.776 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.433 ' O ' ' HB3' ' A' ' 1' ' ' CYS . 46.8 Cg_endo -70.57 158.87 54.63 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.458 2.105 . . . . 0.0 112.295 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.3 t -65.75 138.72 58.13 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.455 -179.927 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.446 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -73.11 -4.68 34.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.497 179.581 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.585 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 9.2 t70 -99.3 133.86 21.7 Favored Pre-proline 0 C--O 1.235 0.321 0 CA-C-O 120.938 0.399 . . . . 0.0 111.869 -178.918 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -54.5 139.16 75.22 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.573 2.182 . . . . 0.0 111.678 179.26 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.441 ' O ' HD12 ' A' ' 36' ' ' LEU . 45.6 t 64.72 9.61 5.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.013 -179.257 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.585 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -107.31 132.01 53.59 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-O 120.834 0.35 . . . . 0.0 110.94 179.721 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 t -138.42 146.61 42.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.987 -179.807 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.6 t -74.45 120.51 20.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.906 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.466 ' CD1' ' HB3' ' A' ' 34' ' ' ARG . 3.5 p90 -116.92 141.56 48.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.546 179.615 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 29.7 m -99.02 130.94 45.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.167 -179.791 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.06 -9.81 59.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.361 179.796 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.506 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -144.32 -154.89 0.56 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.879 179.753 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.506 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.77 -70.37 0.11 Allowed 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 120.928 0.394 . . . . 0.0 110.434 179.497 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -155.97 78.11 0.97 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.631 179.468 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.5 -66.76 0.16 Allowed 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 -179.722 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -84.15 65.65 8.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.944 0.402 . . . . 0.0 111.077 -179.489 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 17.4 m -99.84 114.03 26.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.046 179.924 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.438 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -137.29 159.72 41.1 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.813 179.704 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.533 ' SG ' ' HB1' ' A' ' 20' ' ' ALA . 7.8 t -63.6 142.14 58.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.018 0.437 . . . . 0.0 111.433 -179.713 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.466 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -140.18 134.37 31.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.229 178.972 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.693 ' HD3' HD11 ' A' ' 4' ' ' LEU . 0.6 OUTLIER -85.36 28.02 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.73 -179.566 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.441 HD12 ' O ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER 57.24 108.31 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.17 0.509 . . . . 0.0 111.3 179.973 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.49 55.78 4.42 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.716 -179.85 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 63.2 p -92.04 77.78 5.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.866 0.365 . . . . 0.0 110.404 179.653 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.61 -15.51 28.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.62 -179.763 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 11.7 mtm -83.82 -40.14 19.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.678 179.911 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -150.86 74.39 8.55 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.173 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -74.71 158.58 43.18 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.546 2.164 . . . . 0.0 112.262 179.742 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 55.5 m -81.87 -117.5 0.02 OUTLIER 'General case' 0 N--CA 1.439 -0.994 0 CA-C-O 121.245 0.545 . . . . 0.0 110.808 179.937 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.4 m -81.86 130.55 35.11 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.045 -179.785 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.16 86.91 1.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.806 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.902 -180.0 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.892 0.377 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.661 HG23 HG12 ' A' ' 13' ' ' VAL . 11.4 t -96.54 162.11 2.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.294 -179.888 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.501 ' N ' HG12 ' A' ' 2' ' ' VAL . 8.3 mtt85 -78.25 -164.51 0.55 Allowed 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 -179.528 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.666 HD12 ' OD2' ' A' ' 17' ' ' ASP . 3.1 tp -67.16 -26.83 66.85 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.293 -179.619 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -156.36 75.23 0.86 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.976 179.814 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.434 ' O ' HG11 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -137.58 161.57 36.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.689 179.765 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.3 p -81.68 148.16 29.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.079 -179.867 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.441 ' HB3' HG21 ' A' ' 2' ' ' VAL . 26.5 p -111.91 -13.23 13.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.337 179.914 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER 25.79 94.01 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.074 0.549 . . . . 0.0 112.296 -179.925 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.45 -17.92 7.81 Favored Glycine 0 CA--C 1.518 0.28 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.554 179.938 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 68.6 5.93 5.15 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 -179.806 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.405 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -95.75 20.13 10.27 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.675 0.274 . . . . 0.0 110.952 179.515 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.661 HG12 HG23 ' A' ' 2' ' ' VAL . 24.0 t -142.03 89.64 8.72 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.33 -179.763 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -69.36 159.5 53.48 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.503 2.135 . . . . 0.0 112.284 179.849 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.9 t -64.3 145.31 56.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.105 179.983 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.7 m -71.46 -8.4 53.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.554 179.856 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.666 ' OD2' HD12 ' A' ' 4' ' ' LEU . 63.1 m-20 -88.88 141.43 29.72 Favored Pre-proline 0 C--O 1.234 0.285 0 CA-C-O 121.061 0.458 . . . . 0.0 111.636 -179.194 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -55.39 136.71 74.92 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.583 2.189 . . . . 0.0 111.694 179.519 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER 61.05 12.57 4.06 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.609 -179.775 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -103.92 133.04 49.56 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-O 120.875 0.369 . . . . 0.0 110.895 179.622 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.1 t -134.13 156.14 48.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.811 -179.875 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 10.6 t -72.23 123.12 22.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 179.961 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -119.33 149.07 42.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.615 179.816 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.0 m -107.63 132.88 52.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.981 -179.834 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.46 -9.9 59.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.337 179.714 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -143.85 -158.11 0.85 Allowed 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.738 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -55.89 -67.67 0.27 Allowed 'General case' 0 N--CA 1.446 -0.669 0 CA-C-O 120.905 0.383 . . . . 0.0 110.422 179.527 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.1 p-10 -155.76 80.18 1.01 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.694 179.427 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.01 -71.38 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.974 -0.291 . . . . 0.0 111.644 -179.731 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.19 66.73 9.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.893 -179.718 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 47.4 m -98.3 107.1 19.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -137.0 173.82 11.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.154 179.828 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -54.78 136.58 46.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.259 -179.839 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.32 116.55 11.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.37 179.32 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.425 ' HG2' ' HB2' ' A' ' 20' ' ' ALA . 19.3 mtpt -84.64 23.84 1.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.731 -179.521 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 59.57 110.49 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 121.27 0.557 . . . . 0.0 111.251 179.817 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -78.74 54.65 4.14 Favored Glycine 0 N--CA 1.451 -0.301 0 CA-C-N 115.399 -0.819 . . . . 0.0 112.602 -179.87 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 62.3 p -91.18 76.99 6.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 110.452 179.85 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.15 -17.02 50.72 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.534 -179.815 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 15.2 ttm -84.28 -35.55 23.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.778 179.845 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -150.38 66.97 7.99 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -77.68 162.81 29.76 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.521 2.147 . . . . 0.0 112.335 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 38.0 m -82.3 -118.48 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.103 0 CA-C-O 121.216 0.531 . . . . 0.0 110.718 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.45 86.7 6.71 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.079 -179.895 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 20.3 ttt85 -155.03 40.97 0.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.972 -179.953 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.299 -0.858 . . . . 0.0 110.911 179.94 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.421 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.445 0 CA-C-O 120.88 0.371 . . . . 0.0 110.917 . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.501 HG12 ' H ' ' A' ' 3' ' ' ARG . 2.1 t -96.5 166.29 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.856 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.501 ' H ' HG12 ' A' ' 2' ' ' VAL . 3.1 mtt85 -79.42 -164.59 0.65 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.866 -179.708 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.445 HD23 ' HD2' ' A' ' 5' ' ' HIS . 4.2 tp -68.89 -31.52 70.51 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.148 -179.686 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.445 ' HD2' HD23 ' A' ' 4' ' ' LEU . 63.4 m-70 -155.46 71.42 0.77 Allowed 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.215 179.882 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.473 ' O ' HG11 ' A' ' 2' ' ' VAL . 32.8 tp10 -140.22 160.19 40.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.924 179.906 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.2 t -77.14 151.62 35.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.744 179.749 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.515 ' O ' ' CB ' ' A' ' 9' ' ' LEU . 2.7 p -110.36 -42.87 4.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.009 -179.957 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.515 ' CB ' ' O ' ' A' ' 8' ' ' CYS . 12.0 tp 92.67 116.94 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.762 179.873 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 61.55 17.47 53.66 Favored Glycine 0 CA--C 1.517 0.171 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.897 179.892 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 47.01 28.01 0.82 Allowed 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 179.885 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -90.62 7.8 37.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.314 179.79 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.6 t -142.97 99.55 5.51 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.166 -179.963 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.407 ' O ' ' HB3' ' A' ' 1' ' ' CYS . 40.1 Cg_endo -67.78 160.49 48.07 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.246 1.964 . . . . 0.0 112.033 179.813 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.4 t -63.88 137.73 58.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.3 -179.82 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.421 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.03 -6.71 44.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.378 179.417 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.477 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.9 OUTLIER -87.92 142.75 32.48 Favored Pre-proline 0 C--O 1.233 0.234 0 CA-C-O 120.899 0.38 . . . . 0.0 111.619 -179.321 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -55.68 133.66 59.4 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.605 2.203 . . . . 0.0 111.926 179.525 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.2 t 63.1 14.57 7.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.182 -179.434 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -108.26 133.64 52.21 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.865 0.364 . . . . 0.0 110.975 179.773 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.1 t -136.98 148.17 46.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.755 -179.941 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -73.06 113.59 10.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.924 179.948 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.49 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -113.52 152.47 30.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.848 179.791 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 18.2 m -105.82 137.58 43.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.124 -179.873 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.89 -11.35 60.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.358 179.78 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.496 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.81 -155.78 0.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.823 179.654 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.496 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.42 -66.08 0.5 Allowed 'General case' 0 N--CA 1.445 -0.715 0 CA-C-O 121.008 0.432 . . . . 0.0 110.395 179.535 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -156.18 83.02 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.704 179.691 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.66 -77.26 0.13 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.698 0.285 . . . . 0.0 111.671 -179.744 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -84.05 72.07 10.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.066 -179.596 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 35.1 m -99.34 107.4 19.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.057 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.475 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 0.9 OUTLIER -136.72 171.85 13.88 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.21 179.885 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.2 t -55.54 139.33 44.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.653 -179.562 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.49 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -137.42 112.82 9.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.128 179.322 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.69 19.36 1.67 Allowed 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -179.339 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 59.91 110.89 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 121.234 0.54 . . . . 0.0 111.281 179.699 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -84.67 51.36 4.55 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.433 -0.803 . . . . 0.0 112.607 -179.935 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.4 p -91.21 76.43 6.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.855 0.36 . . . . 0.0 110.651 179.828 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.63 -17.52 55.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.552 -179.757 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.4 ttm -84.59 -35.91 22.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.73 179.85 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -150.16 66.31 7.81 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 179.924 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -81.41 157.24 19.42 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.728 2.285 . . . . 0.0 112.506 -179.926 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 45.6 m -81.76 -116.77 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.062 0 CA-C-O 121.213 0.53 . . . . 0.0 110.799 179.903 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.1 p -81.15 93.07 6.38 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.005 -179.948 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.86 86.5 1.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.854 -179.945 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.285 -0.864 . . . . 0.0 110.888 -179.962 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 14' ' ' PRO . 1.9 p . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.74 0.305 . . . . 0.0 111.245 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.484 HG12 ' H ' ' A' ' 3' ' ' ARG . 2.1 t -96.13 165.85 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.056 0.455 . . . . 0.0 111.416 -179.624 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.484 ' H ' HG12 ' A' ' 2' ' ' VAL . 13.5 mtt180 -78.14 -168.12 1.21 Allowed 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.855 -179.619 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.6 tp -68.74 -34.58 75.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.768 0.318 . . . . 0.0 111.347 -179.497 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.92 71.63 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.164 179.937 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -140.37 164.66 29.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.766 179.793 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.6 t -82.5 143.29 31.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.702 179.846 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.417 ' HB3' ' CG2' ' A' ' 2' ' ' VAL . 20.9 p -117.48 -30.15 5.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.496 -179.653 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.613 HD12 ' O ' ' A' ' 9' ' ' LEU . 1.2 pp 29.33 41.29 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.99 -179.464 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 8' ' ' CYS . . . -126.41 -11.88 3.61 Favored Glycine 0 CA--C 1.52 0.367 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.925 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 71.41 -58.08 0.59 Allowed 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 179.735 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.727 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -88.34 14.12 10.23 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -179.27 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.727 HG23 ' OE1' ' A' ' 12' ' ' GLN . 38.5 t -105.49 86.46 1.75 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 120.614 0.245 . . . . 0.0 111.189 179.604 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.401 ' O ' ' HB2' ' A' ' 1' ' ' CYS . 43.2 Cg_endo -69.65 157.51 60.35 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.379 2.053 . . . . 0.0 112.521 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.7 t -65.51 145.44 56.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.358 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.2 m -72.32 -6.33 42.46 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.777 179.838 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.501 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -98.95 142.18 24.16 Favored Pre-proline 0 C--O 1.233 0.232 0 CA-C-O 121.087 0.47 . . . . 0.0 112.003 -178.916 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_endo -56.81 135.93 73.49 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.53 2.153 . . . . 0.0 111.579 179.388 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.4 t 64.55 10.93 6.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 -179.339 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -104.16 131.0 51.9 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 120.781 0.324 . . . . 0.0 110.656 179.485 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.9 t -135.25 148.89 49.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.766 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.14 120.11 17.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.968 179.943 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -122.22 152.7 39.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.882 179.868 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 39.2 m -110.26 131.01 55.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.217 -179.734 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.5 ttp180 -73.96 -12.14 60.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.33 179.622 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.511 ' CD2' ' CZ ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -144.82 -158.73 0.92 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.754 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.511 ' CZ ' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.82 -66.44 0.45 Allowed 'General case' 0 N--CA 1.445 -0.708 0 CA-C-O 121.054 0.454 . . . . 0.0 110.489 179.675 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -154.68 78.91 1.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.734 179.693 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.61 -66.68 0.16 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.811 0.339 . . . . 0.0 111.302 -179.916 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.425 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 7.0 m-85 -84.65 59.13 5.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.741 -179.915 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 65.0 m -96.82 101.28 12.85 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.246 -179.62 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -139.77 171.71 13.83 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.925 179.474 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.1 t -57.33 145.09 33.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.119 0.485 . . . . 0.0 111.521 -179.574 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.414 ' HD3' ' HA ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -136.43 113.59 10.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.178 179.509 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.92 6.63 15.25 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -179.039 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.414 ' HA ' ' HD3' ' A' ' 34' ' ' ARG . 0.4 OUTLIER 61.21 111.1 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.295 0.569 . . . . 0.0 111.226 179.775 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -92.67 51.52 2.64 Favored Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 115.285 -0.871 . . . . 0.0 112.535 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.9 p -91.66 77.75 5.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.857 0.36 . . . . 0.0 110.512 179.729 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.41 -17.47 44.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.574 -179.725 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.5 ttm -84.04 -30.76 25.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.885 0.374 . . . . 0.0 110.639 179.785 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -150.31 61.39 4.8 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.831 179.919 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_endo -78.52 154.49 27.56 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.645 2.23 . . . . 0.0 112.325 -179.954 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 44.0 m -81.56 -116.35 0.02 OUTLIER 'General case' 0 N--CA 1.439 -1.013 0 CA-C-O 121.129 0.49 . . . . 0.0 110.96 179.929 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 m -80.69 139.99 35.87 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.987 -179.757 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -154.56 67.79 0.71 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.75 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.134 -0.936 . . . . 0.0 111.002 179.98 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.4 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 120.836 0.351 . . . . 0.0 111.053 . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.723 HG22 ' HB3' ' A' ' 6' ' ' GLU . 0.3 OUTLIER -95.27 -175.31 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.587 179.661 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.564 ' N ' HG13 ' A' ' 2' ' ' VAL . 29.2 mtt180 -81.08 -165.43 0.92 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.911 0.386 . . . . 0.0 111.439 -179.07 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.8 tp -70.1 -28.84 65.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.279 -179.572 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -154.74 44.83 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.219 -179.931 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.723 ' HB3' HG22 ' A' ' 2' ' ' VAL . 5.9 tt0 -104.98 162.61 13.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.637 179.546 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.3 m -82.72 149.63 27.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.087 -179.797 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 9' ' ' LEU . 6.8 p -112.0 -12.46 13.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.341 179.911 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.487 ' N ' HD23 ' A' ' 9' ' ' LEU . 0.3 OUTLIER 26.45 93.91 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 179.998 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 125.02 -17.23 7.16 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.458 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 68.79 7.03 5.89 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.787 0.292 . . . . 0.0 111.787 179.93 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.479 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -94.93 17.49 13.71 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.697 0.284 . . . . 0.0 111.042 179.49 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.479 HG23 ' OE1' ' A' ' 12' ' ' GLN . 39.2 t -142.28 87.01 9.74 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.215 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -68.63 159.61 52.9 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.466 2.111 . . . . 0.0 112.105 179.802 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.561 ' HA ' HG12 ' A' ' 2' ' ' VAL . 13.0 t -64.43 133.81 53.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.296 -179.832 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER -73.3 -1.67 18.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.587 179.443 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.5 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 10.7 m-20 -93.68 142.37 25.03 Favored Pre-proline 0 CA--C 1.53 0.207 0 CA-C-O 120.936 0.398 . . . . 0.0 111.579 -179.454 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -55.5 133.46 58.22 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.587 2.191 . . . . 0.0 111.847 179.627 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 35.0 t 62.89 15.28 8.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 -179.547 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -105.56 132.11 52.12 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 120.705 0.288 . . . . 0.0 110.777 179.735 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.5 t -135.83 143.13 44.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.936 0.398 . . . . 0.0 111.033 -179.819 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.8 t -73.44 111.69 8.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.02 179.868 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.459 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -115.87 156.02 26.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.727 179.847 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 13.0 m -104.29 138.13 41.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.081 -179.715 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.07 -10.49 59.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.293 179.73 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.489 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.24 -155.0 0.57 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.725 179.678 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.489 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.85 -68.54 0.19 Allowed 'General case' 0 N--CA 1.447 -0.601 0 CA-C-O 120.888 0.375 . . . . 0.0 110.36 179.536 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -155.97 81.48 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.673 179.58 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.01 -73.19 0.15 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.738 0.304 . . . . 0.0 111.689 -179.728 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.421 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.4 OUTLIER -83.93 70.5 10.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.973 -179.601 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 23.3 m -99.48 108.62 21.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.272 -179.911 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -138.43 164.6 28.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.682 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -53.46 140.4 28.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.296 -179.666 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.459 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 2.5 tmm_? -140.47 120.81 13.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.47 179.277 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -84.81 25.62 0.91 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.542 -179.829 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 60.46 111.38 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 121.191 0.52 . . . . 0.0 111.052 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -78.86 51.33 3.78 Favored Glycine 0 N--CA 1.453 -0.198 0 CA-C-N 115.385 -0.825 . . . . 0.0 112.884 -179.851 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.749 HG23 ' HA ' ' A' ' 42' ' ' PRO . 0.8 OUTLIER -93.76 78.53 4.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.936 0.398 . . . . 0.0 110.417 179.566 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.01 -15.17 28.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.767 -179.678 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -83.65 -37.35 22.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.85 0.357 . . . . 0.0 110.844 179.88 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 -150.34 67.0 8.04 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.987 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.749 ' HA ' HG23 ' A' ' 38' ' ' THR . 74.5 Cg_endo -75.25 151.47 38.44 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.668 2.245 . . . . 0.0 112.479 -179.866 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 37.8 m -82.46 -118.71 0.02 OUTLIER 'General case' 0 N--CA 1.436 -1.134 0 CA-C-O 121.295 0.569 . . . . 0.0 110.837 179.888 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.63 91.03 6.89 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.027 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.86 87.56 1.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.236 -0.887 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.424 ' HB3' ' O ' ' A' ' 14' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.505 0 CA-C-O 120.901 0.381 . . . . 0.0 110.911 . . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.787 HG23 HG12 ' A' ' 13' ' ' VAL . 24.4 t -96.73 158.25 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.028 179.684 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.475 ' N ' HG12 ' A' ' 2' ' ' VAL . 29.0 mtp180 -80.33 -175.94 5.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.071 -179.498 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.489 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 13.5 tp -71.93 -63.13 1.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.043 -179.958 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.432 ' CD2' ' HG ' ' A' ' 4' ' ' LEU . 8.7 m-70 -85.35 48.48 1.58 Allowed 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.305 -179.789 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -142.1 161.44 37.99 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.16 0.505 . . . . 0.0 111.7 -179.709 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.498 ' HA ' ' HA ' ' A' ' 32' ' ' TYR . 0.8 OUTLIER -99.09 159.51 14.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.187 179.32 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.508 ' CB ' HG21 ' A' ' 2' ' ' VAL . 10.8 p -111.58 -34.44 6.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.691 0.282 . . . . 0.0 111.251 -179.848 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.432 HD23 ' HB3' ' A' ' 7' ' ' SER . 0.7 OUTLIER 27.38 41.96 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.178 -179.742 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 8' ' ' CYS . . . -136.23 -7.74 1.68 Allowed Glycine 0 CA--C 1.521 0.411 0 C-N-CA 120.667 -0.777 . . . . 0.0 113.298 -179.649 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 70.35 -58.73 0.54 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 117.031 0.415 . . . . 0.0 111.48 -179.967 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -91.24 36.02 0.93 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.274 -179.752 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.787 HG12 HG23 ' A' ' 2' ' ' VAL . 20.4 t -140.52 79.05 20.85 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.875 0.369 . . . . 0.0 111.121 179.816 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.424 ' O ' ' HB3' ' A' ' 1' ' ' CYS . 66.5 Cg_endo -75.93 164.21 32.03 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.489 2.126 . . . . 0.0 112.229 179.934 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 t -63.91 138.69 58.58 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.013 0.435 . . . . 0.0 111.111 -179.925 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.46 -7.49 47.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.277 179.433 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.567 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 27.2 t70 -80.57 135.54 52.93 Favored Pre-proline 0 CA--C 1.532 0.253 0 CA-C-O 120.852 0.358 . . . . 0.0 111.45 -179.487 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -53.22 134.93 58.52 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.602 2.201 . . . . 0.0 111.801 179.646 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.453 ' O ' HD12 ' A' ' 36' ' ' LEU . 49.1 t 61.25 18.45 9.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.74 -179.593 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.567 ' HB3' ' HB3' ' A' ' 17' ' ' ASP . . . -123.78 118.87 28.16 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-O 120.921 0.391 . . . . 0.0 111.316 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.432 HG23 ' NE ' ' A' ' 34' ' ' ARG . 9.9 t -126.02 169.08 13.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.141 179.621 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.8 t -70.83 142.73 51.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.022 0.439 . . . . 0.0 111.182 -179.769 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.433 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 47.8 t80 -139.07 138.22 36.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.59 179.906 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.424 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 15.1 m -105.87 133.52 50.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.725 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.62 -10.78 60.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.312 179.792 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.491 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.94 -155.5 0.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.851 179.601 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.491 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.13 -66.43 0.43 Allowed 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 120.88 0.371 . . . . 0.0 110.491 179.628 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -155.97 83.26 1.01 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.729 179.58 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.2 -74.65 0.15 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.692 -179.77 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.424 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.2 OUTLIER -84.1 66.28 9.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.939 0.4 . . . . 0.0 111.057 -179.582 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.433 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 40.9 m -96.68 104.24 16.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 179.871 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.498 ' HA ' ' HA ' ' A' ' 7' ' ' SER . 3.7 p90 -137.47 -179.99 6.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.901 0.381 . . . . 0.0 111.526 -179.897 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.489 ' HB3' ' O ' ' A' ' 4' ' ' LEU . 45.4 t -52.01 136.47 29.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.756 -179.609 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.432 ' NE ' HG23 ' A' ' 21' ' ' THR . 0.0 OUTLIER -139.82 125.08 18.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.037 179.682 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.8 mtmt -84.72 40.81 0.82 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.736 -179.53 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.453 HD12 ' O ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER 49.98 103.62 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.263 0.554 . . . . 0.0 111.812 179.644 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -80.12 57.42 4.62 Favored Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.436 179.662 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -91.15 76.89 6.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.838 0.352 . . . . 0.0 110.7 179.962 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.41 -17.46 54.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.381 -179.827 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.6 mmt -84.42 -46.51 11.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.838 179.876 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -150.35 75.26 8.79 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -85.01 167.93 10.78 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.784 2.323 . . . . 0.0 112.429 -179.931 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 43.2 m -81.6 -117.94 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.052 0 CA-C-O 121.237 0.541 . . . . 0.0 110.653 179.872 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.6 t -81.71 102.12 10.53 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.047 -179.907 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.93 85.64 1.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.796 -179.92 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 23.2 m . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.852 -179.934 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 14' ' ' PRO . 2.1 p . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.898 0.38 . . . . 0.0 111.274 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.658 HG21 ' HB3' ' A' ' 8' ' ' CYS . 3.5 t -96.82 162.41 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.132 -179.939 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.452 ' N ' HG12 ' A' ' 2' ' ' VAL . 0.4 OUTLIER -79.61 -168.26 1.51 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.904 -179.598 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.9 tp -69.1 -23.56 64.02 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.359 -179.739 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.423 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 0.0 OUTLIER -155.47 66.72 0.63 Allowed 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 120.966 0.413 . . . . 0.0 111.057 179.92 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.583 ' O ' HG11 ' A' ' 2' ' ' VAL . 18.4 tp10 -139.36 160.55 39.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.665 179.798 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.4 ' HA ' ' HA ' ' A' ' 32' ' ' TYR . 20.8 p -76.08 151.81 36.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.127 -179.804 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.658 ' HB3' HG21 ' A' ' 2' ' ' VAL . 20.1 p -111.03 -11.71 14.28 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.244 179.808 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 8' ' ' CYS . 7.0 tp 25.19 96.04 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.16 0.584 . . . . 0.0 112.575 -179.909 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 127.92 -24.04 5.19 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.489 179.8 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.54 3.33 4.15 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -179.865 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.635 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -95.51 -17.51 21.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.754 0.311 . . . . 0.0 110.934 179.502 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.635 HG23 ' OE1' ' A' ' 12' ' ' GLN . 39.8 t -100.0 96.59 5.03 Favored Pre-proline 0 C--N 1.332 -0.19 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.191 -179.719 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.4 ' O ' ' HB2' ' A' ' 1' ' ' CYS . 55.9 Cg_endo -70.93 161.28 46.64 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.41 2.073 . . . . 0.0 112.151 179.751 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.0 t -65.0 146.19 55.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.269 179.986 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 93.2 m -71.89 -8.59 55.31 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.581 179.832 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.493 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 1.5 t70 -93.7 138.45 22.85 Favored Pre-proline 0 C--O 1.234 0.254 0 CA-C-O 121.017 0.437 . . . . 0.0 111.814 -178.96 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -55.55 136.28 73.26 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.55 2.166 . . . . 0.0 111.677 179.234 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 46.6 t 65.54 10.84 6.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.263 -179.409 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -105.79 130.2 53.82 Favored 'General case' 0 N--CA 1.457 -0.084 0 CA-C-O 120.843 0.354 . . . . 0.0 110.69 179.621 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.6 t -133.27 162.66 31.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.687 -179.856 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.5 t -70.75 146.59 49.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.959 0.409 . . . . 0.0 111.187 -179.785 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.432 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 10.6 t80 -144.21 133.98 23.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.505 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 34.8 m -99.87 128.59 45.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.958 -179.891 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.401 ' HB2' ' CB ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -72.83 -10.58 59.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.358 179.779 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.494 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -146.13 -154.57 0.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.93 179.7 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.494 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.81 -69.64 0.14 Allowed 'General case' 0 N--CA 1.445 -0.702 0 CA-C-O 120.889 0.376 . . . . 0.0 110.429 179.658 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -155.02 79.33 1.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.783 179.544 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -153.36 -66.21 0.15 Allowed 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.725 -179.704 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.406 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 3.7 m-85 -83.43 59.7 5.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.833 0.349 . . . . 0.0 111.098 -179.618 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.432 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 32.7 m -96.67 104.63 16.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.906 179.892 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.4 ' HA ' ' HA ' ' A' ' 7' ' ' SER . 7.2 p90 -136.06 175.91 9.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.445 -179.908 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.3 t -58.5 142.49 48.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.303 -179.68 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.412 ' HD3' ' HB2' ' A' ' 23' ' ' TYR . 3.6 ttp180 -140.13 118.03 11.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.134 179.433 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.55 20.08 1.81 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.822 -179.409 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 60.57 111.12 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 121.161 0.505 . . . . 0.0 111.037 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.26 53.89 3.52 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.906 -179.91 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.76 75.32 6.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.815 0.34 . . . . 0.0 110.587 179.763 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.82 -17.62 56.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.493 -179.771 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 25.8 ttm -84.61 -42.38 15.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.847 179.93 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.7 m-20 -149.91 73.09 9.54 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.941 179.969 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -79.92 156.84 23.83 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.626 2.217 . . . . 0.0 112.336 -179.932 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 41.8 m -81.89 -117.37 0.02 OUTLIER 'General case' 0 N--CA 1.439 -0.999 0 CA-C-O 121.229 0.538 . . . . 0.0 110.861 179.901 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.7 m -81.59 104.36 11.96 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.065 -179.747 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.03 92.3 1.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.781 179.913 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.943 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.416 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.466 0 CA-C-O 120.783 0.325 . . . . 0.0 110.873 . . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.591 HG22 HG12 ' A' ' 13' ' ' VAL . 3.0 t -92.79 165.48 1.91 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.288 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.524 179.568 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.471 ' H ' HG12 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -77.99 -169.42 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.092 -179.19 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.9 tp -67.33 -34.06 76.57 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.531 -179.39 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -155.39 72.19 0.8 Allowed 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.208 179.842 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -140.26 162.44 35.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.815 179.868 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.8 t -73.77 146.46 44.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.69 179.862 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.519 ' HB3' HG21 ' A' ' 2' ' ' VAL . 21.3 p -109.74 -25.04 10.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.298 -179.849 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.462 ' C ' ' O ' ' A' ' 8' ' ' CYS . 4.3 tp 24.37 88.19 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.106 -179.943 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.98 -25.28 0.23 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.56 -179.76 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 76.55 -37.58 0.29 Allowed 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.01 34.89 0.84 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.663 0.268 . . . . 0.0 111.072 179.991 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.591 HG12 HG22 ' A' ' 2' ' ' VAL . 28.4 t -142.74 82.21 12.59 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.744 0.307 . . . . 0.0 111.203 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -73.26 161.41 42.99 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.615 2.21 . . . . 0.0 112.455 -179.999 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.3 t -65.16 135.99 56.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.445 -179.943 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.416 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -73.62 -2.6 23.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.695 179.445 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.606 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 16.4 t70 -98.03 137.82 20.9 Favored Pre-proline 0 C--O 1.234 0.287 0 CA-C-O 120.986 0.422 . . . . 0.0 111.82 -179.038 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -54.47 137.9 73.22 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.562 2.174 . . . . 0.0 111.623 179.396 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 41.8 t 63.68 12.09 6.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.872 -179.174 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.606 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -108.0 130.84 55.03 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 120.857 0.36 . . . . 0.0 110.976 179.806 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.5 t -138.51 137.71 37.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.685 -179.923 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 11.9 t -73.58 112.38 9.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 179.936 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.475 ' CD1' ' HG3' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -119.06 156.05 30.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.406 179.743 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.443 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 14.2 m -100.42 132.34 45.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.026 -179.737 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.29 -9.07 58.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.325 179.925 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.49 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -144.43 -154.81 0.55 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.788 179.782 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.49 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.51 -70.58 0.1 Allowed 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 120.972 0.415 . . . . 0.0 110.388 179.511 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -155.77 78.21 0.98 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.756 179.483 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.79 -65.29 0.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -179.721 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.443 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 7.4 m-85 -84.3 63.4 7.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.84 0.352 . . . . 0.0 111.125 -179.492 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 19.4 m -96.63 104.87 16.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.947 179.835 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -138.61 163.15 32.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.27 -179.871 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 1.7 t -57.7 136.71 56.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.156 -179.885 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.475 ' HG3' ' CD1' ' A' ' 23' ' ' TYR . 4.6 mmt-85 -138.57 126.59 22.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.32 179.237 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.61 33.91 0.52 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.838 -179.485 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 57.41 109.2 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.226 0.536 . . . . 0.0 111.205 179.766 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -78.79 54.05 4.1 Favored Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.758 179.921 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 70.0 p -92.94 77.86 4.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.893 0.378 . . . . 0.0 110.472 179.776 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.65 -16.34 37.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.539 -179.851 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -84.38 -37.95 20.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.946 179.784 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -150.45 71.93 9.09 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.193 -179.95 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -75.98 159.48 37.75 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.642 2.228 . . . . 0.0 112.424 179.935 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 53.8 m -82.25 -117.29 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.074 0 CA-C-O 121.239 0.542 . . . . 0.0 110.83 179.954 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.61 135.79 35.55 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.154 -179.817 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.24 31.07 0.39 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.857 -179.941 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.282 -0.865 . . . . 0.0 110.933 179.997 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.426 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 120.775 0.322 . . . . 0.0 110.8 . . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.537 HG21 ' HB3' ' A' ' 8' ' ' CYS . 4.5 t -93.02 163.13 2.28 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.313 0 CA-C-O 120.892 0.377 . . . . 0.0 110.695 179.769 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.47 ' N ' HG12 ' A' ' 2' ' ' VAL . 14.1 mtt85 -78.7 -164.6 0.6 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.147 -179.131 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.0 tp -68.55 -29.27 67.8 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.156 -179.455 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -155.69 46.08 0.48 Allowed 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.884 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.456 ' O ' HG11 ' A' ' 2' ' ' VAL . 32.2 tp10 -106.43 158.19 17.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.804 179.776 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 57.0 p -74.54 146.12 42.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.071 179.956 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.537 ' HB3' HG21 ' A' ' 2' ' ' VAL . 31.2 p -110.7 -22.07 11.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.221 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 8' ' ' CYS . 27.1 tp 25.67 92.64 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.317 -179.852 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 143.7 -26.99 2.08 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.419 179.94 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 73.4 -7.69 1.49 Allowed 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 111.957 0.355 . . . . 0.0 111.957 -179.995 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.416 ' O ' ' HD3' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -91.61 -15.3 28.8 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 120.686 0.279 . . . . 0.0 111.108 179.747 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.46 HG12 ' CG2' ' A' ' 2' ' ' VAL . 22.0 t -102.91 87.95 1.37 Allowed Pre-proline 0 C--N 1.332 -0.18 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.664 -179.714 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.416 ' HD3' ' O ' ' A' ' 12' ' ' GLN . 51.9 Cg_endo -70.06 160.9 47.98 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.428 2.085 . . . . 0.0 112.178 179.712 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.414 ' SG ' ' HB1' ' A' ' 20' ' ' ALA . 11.9 t -64.97 135.32 55.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.286 -179.947 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.426 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.93 -3.89 28.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.49 179.483 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.499 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -94.89 140.58 22.56 Favored Pre-proline 0 CA--C 1.532 0.264 0 CA-C-O 120.919 0.39 . . . . 0.0 111.698 -179.24 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -55.72 134.82 66.26 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.572 2.181 . . . . 0.0 111.749 179.558 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.2 t 64.24 13.2 7.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.111 -179.535 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -105.37 130.7 53.42 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.907 0.385 . . . . 0.0 111.045 179.679 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.6 t -136.68 143.7 43.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.791 -179.986 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.3 t -73.75 135.24 43.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.239 -179.9 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.496 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 1.5 p90 -132.48 142.3 49.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.563 179.519 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 21.4 m -97.07 131.36 43.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.293 -179.575 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.47 -8.98 58.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.272 179.633 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.499 ' CE1' ' CE1' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -144.02 -154.41 0.53 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.711 179.685 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.499 ' CE1' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.37 -71.54 0.08 Allowed 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 120.92 0.391 . . . . 0.0 110.361 179.626 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -155.91 77.32 0.95 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.682 179.431 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.8 -64.19 0.16 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.68 0.276 . . . . 0.0 111.711 -179.669 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.4 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 3.9 m-85 -84.29 64.64 8.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.806 0.336 . . . . 0.0 111.085 -179.581 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 8.6 m -99.96 116.08 31.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.227 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.483 ' N ' ' CD1' ' A' ' 32' ' ' TYR . 0.5 OUTLIER -139.31 160.02 40.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.135 179.774 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.5 t -57.72 143.29 42.32 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.413 -179.662 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.496 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 39.6 ttt85 -140.12 128.05 22.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.442 179.256 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.04 27.15 0.79 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.744 -179.723 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 57.79 109.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.16 0.505 . . . . 0.0 111.271 179.93 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.12 55.06 3.56 Favored Glycine 0 N--CA 1.453 -0.189 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.516 179.98 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.2 p -91.96 77.21 5.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.905 0.383 . . . . 0.0 110.658 179.696 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.13 -16.93 49.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.469 -179.842 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 5.8 mtt -84.45 -38.05 20.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.853 179.908 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -150.35 73.21 9.15 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.099 179.977 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.82 152.65 37.25 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.67 2.246 . . . . 0.0 112.377 179.985 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 43.6 m -82.23 -117.21 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.081 0 CA-C-O 121.11 0.481 . . . . 0.0 111.036 179.916 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.4 t -81.74 67.23 7.63 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.123 -179.75 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.2 tpp85 -155.92 107.94 2.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.776 179.786 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 74.0 m . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.27 -0.872 . . . . 0.0 110.853 -179.961 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.407 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 120.81 0.338 . . . . 0.0 110.833 . . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.534 ' CG2' HG12 ' A' ' 13' ' ' VAL . 6.5 t -93.46 162.48 2.39 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.289 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.718 179.77 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.475 ' N ' HG12 ' A' ' 2' ' ' VAL . 17.4 mmt85 -78.59 -165.08 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 -179.19 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.9 tp -68.53 -29.73 68.38 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.095 -179.781 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -155.47 75.47 0.93 Allowed 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.024 179.801 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -136.82 168.08 20.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.539 179.874 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 38.7 t -86.07 145.21 27.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.156 -179.835 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.653 ' C ' HD23 ' A' ' 9' ' ' LEU . 20.5 p -110.23 -16.6 13.72 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.282 179.973 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.653 HD23 ' C ' ' A' ' 8' ' ' CYS . 0.6 OUTLIER 26.18 95.4 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -179.897 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 131.08 -22.13 4.53 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.471 179.906 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 68.88 4.88 4.69 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 111.573 0.212 . . . . 0.0 111.573 -179.76 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.697 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -93.77 -19.41 21.08 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.69 0.281 . . . . 0.0 110.823 179.668 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.697 HG23 ' OE1' ' A' ' 12' ' ' GLN . 33.5 t -102.85 87.85 1.33 Allowed Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.303 -179.828 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.425 ' HD3' ' O ' ' A' ' 12' ' ' GLN . 45.9 Cg_endo -69.44 159.66 52.8 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.378 2.052 . . . . 0.0 112.202 179.811 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.8 t -64.86 135.86 56.22 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.257 -179.924 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.407 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.55 -5.63 38.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.339 179.288 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.472 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.8 OUTLIER -87.84 143.38 33.38 Favored Pre-proline 0 C--O 1.233 0.234 0 CA-C-O 120.867 0.365 . . . . 0.0 111.636 -179.407 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_endo -56.55 132.0 49.15 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.706 2.271 . . . . 0.0 111.822 179.513 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.473 ' SG ' HD13 ' A' ' 36' ' ' LEU . 48.8 t 62.24 16.36 8.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 -179.447 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -105.88 130.73 53.79 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.77 0.319 . . . . 0.0 111.134 179.796 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.471 HG22 ' NE ' ' A' ' 34' ' ' ARG . 0.3 OUTLIER -137.57 160.06 40.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.504 179.985 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.6 t -72.35 151.7 42.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.047 0.451 . . . . 0.0 111.079 -179.846 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.4 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 87.1 t80 -155.47 138.36 15.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.557 179.908 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 22.1 m -98.75 131.8 44.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.123 -179.83 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.89 -10.29 59.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.013 0.435 . . . . 0.0 111.312 179.783 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.492 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.26 -155.15 0.59 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.847 179.634 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.492 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.96 -68.29 0.22 Allowed 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 120.987 0.422 . . . . 0.0 110.427 179.518 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -155.84 80.77 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.769 179.635 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.86 -70.74 0.15 Allowed 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -179.705 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.405 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 1.5 m-85 -84.22 66.31 9.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.856 0.36 . . . . 0.0 111.144 -179.46 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 27.9 m -97.84 104.24 16.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.648 179.814 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -134.11 177.9 7.38 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.473 -179.749 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.9 t -68.43 138.79 55.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.571 -179.483 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.471 ' NE ' HG22 ' A' ' 21' ' ' THR . 0.0 OUTLIER -142.04 119.29 11.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.375 178.766 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -83.19 49.71 1.6 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.265 -0.425 . . . . 0.0 112.118 -178.734 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.473 HD13 ' SG ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER 48.55 103.75 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.221 0.534 . . . . 0.0 111.832 179.365 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -71.37 56.48 1.18 Allowed Glycine 0 C--N 1.322 -0.222 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.66 179.755 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.01 76.51 4.72 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.782 0.325 . . . . 0.0 110.738 179.817 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.64 -17.45 55.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.387 -179.937 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.89 -48.37 9.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.914 179.967 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -150.13 79.36 7.62 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.244 -179.962 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -78.54 168.48 21.25 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.621 2.214 . . . . 0.0 112.313 179.842 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 47.4 m -82.08 -117.55 0.02 OUTLIER 'General case' 0 N--CA 1.439 -1.003 0 CA-C-O 121.209 0.528 . . . . 0.0 110.82 179.913 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.7 113.13 19.48 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.995 -179.823 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -154.84 64.05 0.65 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.886 -179.974 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.944 179.99 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.435 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 120.795 0.331 . . . . 0.0 110.875 . . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.55 HG21 ' HB3' ' A' ' 8' ' ' CYS . 2.7 t -94.34 166.09 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.668 179.769 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.491 ' H ' HG12 ' A' ' 2' ' ' VAL . 76.7 mtt180 -78.02 -166.86 0.87 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.982 -179.321 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 14.5 tp -69.05 -37.36 78.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.286 -179.512 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -154.78 68.21 0.71 Allowed 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.096 179.846 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -139.59 169.65 17.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.833 179.85 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 70.0 p -65.13 144.75 57.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.714 179.787 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.55 ' HB3' HG21 ' A' ' 2' ' ' VAL . 21.3 p -109.42 -26.46 9.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.213 -179.888 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.592 HD12 ' O ' ' A' ' 9' ' ' LEU . 1.6 pp 22.26 93.36 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.235 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 164.49 -23.66 0.17 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.943 -179.894 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 74.24 -52.25 0.69 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.701 0.251 . . . . 0.0 111.549 -179.974 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.811 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -87.1 10.03 17.97 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.585 0.217 . . . . 0.0 111.585 -179.876 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.811 HG23 ' OE1' ' A' ' 12' ' ' GLN . 23.4 t -105.75 84.87 1.32 Allowed Pre-proline 0 C--N 1.332 -0.169 0 CA-C-O 120.749 0.309 . . . . 0.0 111.042 179.673 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.421 ' O ' ' HB3' ' A' ' 1' ' ' CYS . 52.0 Cg_endo -70.4 160.55 49.14 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.505 2.137 . . . . 0.0 112.342 179.866 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.6 t -64.62 138.52 58.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.203 -179.959 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.435 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.1 -5.61 36.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.478 179.668 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.576 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 9.1 m-20 -96.08 135.39 22.74 Favored Pre-proline 0 C--O 1.234 0.271 0 CA-C-O 120.884 0.373 . . . . 0.0 111.654 -179.235 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -54.24 137.67 71.17 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.558 2.172 . . . . 0.0 111.596 179.433 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.8 t 64.41 11.93 6.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.468 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.576 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -107.59 132.38 53.34 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 120.769 0.318 . . . . 0.0 111.115 179.82 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.4 t -137.52 144.6 42.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.791 -179.997 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 46.7 t -72.1 122.28 20.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.89 0.376 . . . . 0.0 111.236 -179.789 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -113.36 140.03 48.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.532 179.593 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 57.2 m -103.13 126.39 50.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.971 -179.86 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.18 -9.96 59.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.537 179.798 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.52 ' CD2' ' CZ ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -144.28 -159.09 0.95 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.77 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.52 ' CZ ' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.69 -67.62 0.29 Allowed 'General case' 0 N--CA 1.444 -0.743 0 CA-C-O 120.896 0.379 . . . . 0.0 110.427 179.541 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -154.97 76.72 1.0 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.71 179.496 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.49 -65.39 0.16 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.525 -179.71 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -84.4 62.04 6.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.827 0.346 . . . . 0.0 111.039 -179.715 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 51.4 m -99.23 109.92 22.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.814 179.976 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -136.12 158.0 45.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 179.894 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.42 ' SG ' ' HB1' ' A' ' 20' ' ' ALA . 5.8 t -57.53 144.04 38.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.034 0.445 . . . . 0.0 111.11 -179.82 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -138.13 126.65 23.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.318 179.512 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.98 22.33 1.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.792 -179.686 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 58.55 109.08 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.165 0.507 . . . . 0.0 111.366 179.804 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.18 56.19 4.84 Favored Glycine 0 N--CA 1.451 -0.315 0 CA-C-N 115.425 -0.807 . . . . 0.0 112.53 179.875 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.15 75.61 7.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.893 0.377 . . . . 0.0 110.763 179.91 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.99 -17.38 56.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.527 -179.789 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -84.7 -42.7 15.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.783 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -150.07 73.22 9.38 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.815 179.945 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -80.67 164.15 20.93 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.644 2.229 . . . . 0.0 112.405 -179.925 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 49.9 m -81.41 -116.15 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.058 0 CA-C-O 121.141 0.495 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 p -80.97 102.35 10.09 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.985 -179.713 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.1 tpp85 -154.93 77.91 1.03 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.915 179.939 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.9 -179.968 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.444 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.452 0 CA-C-O 120.702 0.287 . . . . 0.0 110.926 . . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.521 HG12 ' H ' ' A' ' 3' ' ' ARG . 1.7 t -94.25 168.84 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.612 179.801 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.521 ' H ' HG12 ' A' ' 2' ' ' VAL . 15.9 mmt85 -79.1 -165.09 0.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.982 -179.3 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.656 HD12 ' OD2' ' A' ' 17' ' ' ASP . 8.0 tp -68.82 -37.55 79.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.191 -179.574 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -154.92 68.9 0.71 Allowed 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.155 179.854 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -139.97 161.73 36.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.639 179.701 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.9 m -56.59 150.9 14.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.459 ' O ' ' C ' ' A' ' 9' ' ' LEU . 30.5 p -107.33 -29.37 9.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.179 -179.826 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.595 HD12 ' O ' ' A' ' 9' ' ' LEU . 1.6 pp 22.13 95.36 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.274 179.853 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 159.99 -19.37 0.24 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.969 -179.909 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 71.06 -55.11 0.66 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.792 0.296 . . . . 0.0 111.347 -179.801 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.763 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -91.29 38.32 0.97 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.825 0.345 . . . . 0.0 110.829 179.824 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.763 HG23 ' OE1' ' A' ' 12' ' ' GLN . 21.7 t -135.25 83.22 39.16 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.006 179.815 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.406 ' O ' ' HB3' ' A' ' 1' ' ' CYS . 57.9 Cg_endo -72.43 162.65 40.86 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.605 2.203 . . . . 0.0 112.395 -179.859 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.7 t -64.31 139.82 58.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.405 -179.975 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.444 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.33 -6.31 42.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.508 179.523 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.656 ' OD2' HD12 ' A' ' 4' ' ' LEU . 76.4 m-20 -94.76 136.09 23.28 Favored Pre-proline 0 CA--C 1.531 0.231 0 CA-C-O 120.869 0.366 . . . . 0.0 111.659 -179.204 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -55.04 136.14 71.77 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.509 2.14 . . . . 0.0 111.617 179.476 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.7 t 64.48 12.59 7.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.955 -179.484 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -106.54 131.78 53.31 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.76 0.315 . . . . 0.0 110.921 179.76 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 t -137.06 148.7 46.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.893 -179.852 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 54.1 t -71.6 115.24 10.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.166 -179.862 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -106.22 140.77 38.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.664 179.662 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 69.5 m -103.39 120.9 41.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.403 ' HB2' ' HB3' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -73.27 -9.58 58.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.591 -179.894 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.493 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.29 -159.07 0.96 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.878 179.663 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.493 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -57.11 -67.45 0.32 Allowed 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 120.961 0.41 . . . . 0.0 110.354 179.576 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -155.14 74.17 0.9 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.756 179.597 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.56 -62.18 0.16 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.552 -179.686 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.403 ' HB3' ' HB2' ' A' ' 25' ' ' ARG . 23.9 m-85 -84.54 58.0 4.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.867 0.365 . . . . 0.0 110.853 -179.732 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 62.2 m -98.6 101.69 13.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.899 179.881 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -135.83 160.56 38.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 -179.908 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.41 ' SG ' ' HB1' ' A' ' 20' ' ' ALA . 8.6 t -54.45 144.77 20.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.079 0.466 . . . . 0.0 111.183 -179.73 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.56 129.23 26.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.366 179.528 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.79 8.01 16.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.785 -179.646 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.49 110.81 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 121.142 0.496 . . . . 0.0 111.238 179.736 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -84.91 54.81 4.95 Favored Glycine 0 N--CA 1.452 -0.3 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.471 -179.987 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 76.0 p -90.57 76.11 6.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.863 0.363 . . . . 0.0 110.683 179.846 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.48 -18.17 57.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.465 -179.841 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.51 -32.49 23.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.746 179.789 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -150.16 64.66 6.92 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.834 179.883 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.98 150.77 30.24 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.65 2.233 . . . . 0.0 112.308 -179.848 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 40.0 m -81.73 -116.91 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.099 0 CA-C-O 121.156 0.503 . . . . 0.0 110.866 179.908 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.9 m -81.32 95.96 7.16 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.005 -179.745 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.98 82.61 1.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.816 -179.994 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.308 -0.853 . . . . 0.0 110.88 -179.966 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.425 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.758 0.314 . . . . 0.0 110.842 . . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.517 HG23 HG12 ' A' ' 13' ' ' VAL . 9.6 t -93.62 163.23 2.28 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.241 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.769 179.789 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.501 ' N ' HG12 ' A' ' 2' ' ' VAL . 5.4 mtt180 -78.12 -162.52 0.35 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.255 -179.124 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.3 tp -67.85 -32.9 73.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.085 -179.566 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.81 47.33 0.55 Allowed 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.194 179.963 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.414 ' O ' HG11 ' A' ' 2' ' ' VAL . 45.4 tp10 -104.67 161.43 14.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.695 179.551 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.2 t -80.48 149.61 29.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.959 -179.93 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.473 ' HB3' HG21 ' A' ' 2' ' ' VAL . 5.9 p -109.37 -6.98 15.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.426 -179.933 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.518 ' N ' HD23 ' A' ' 9' ' ' LEU . 0.5 OUTLIER 24.25 94.58 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.538 0.569 . . . . 0.0 112.538 179.946 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.6 -20.78 7.29 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.498 179.942 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 70.65 2.17 4.01 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 -179.869 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -95.05 23.25 5.79 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.651 0.262 . . . . 0.0 110.859 179.436 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.517 HG12 HG23 ' A' ' 2' ' ' VAL . 24.9 t -141.58 91.62 8.37 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.171 -179.602 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -68.76 158.02 59.48 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.388 2.058 . . . . 0.0 112.249 179.845 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.9 t -65.23 134.54 53.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.429 179.999 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.425 ' N ' ' HB2' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -72.4 -5.65 37.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.245 179.215 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.501 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -92.81 138.31 23.6 Favored Pre-proline 0 C--O 1.234 0.267 0 CA-C-O 120.948 0.404 . . . . 0.0 111.54 -179.332 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -54.72 134.44 62.6 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.624 2.216 . . . . 0.0 112.035 179.551 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 34.9 t 63.86 13.73 7.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.282 -179.739 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -105.87 135.02 48.06 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.634 0.254 . . . . 0.0 110.728 179.622 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 t -139.72 148.62 42.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.897 0.38 . . . . 0.0 111.349 -179.611 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.57 138.16 44.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.094 179.695 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.451 ' CD1' ' HB3' ' A' ' 34' ' ' ARG . 0.8 OUTLIER -141.12 146.23 36.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.597 179.769 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 31' ' ' CYS . 35.3 m -100.24 130.77 46.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.066 -179.875 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.8 -11.23 60.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.208 179.833 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.498 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -145.94 -155.54 0.63 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.828 179.701 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.498 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.98 -68.78 0.18 Allowed 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 120.974 0.416 . . . . 0.0 110.514 179.527 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -154.46 80.32 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.693 179.576 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -153.05 -70.29 0.15 Allowed 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 -179.825 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.403 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 20.9 m-85 -84.28 65.52 8.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.243 -179.433 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 32.2 m -99.01 104.36 16.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.989 179.826 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.435 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 2.4 p90 -139.12 165.72 26.42 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.064 0.459 . . . . 0.0 111.366 -179.924 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.0 t -58.29 147.4 30.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.362 -179.845 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.451 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -139.91 134.16 31.22 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.387 179.023 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -85.86 15.42 4.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.796 -179.508 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.65 111.35 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.113 0.482 . . . . 0.0 111.138 179.971 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.78 54.55 3.39 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.596 179.96 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.2 p -89.97 76.1 7.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.872 0.368 . . . . 0.0 110.648 179.833 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.62 -16.91 52.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.58 -179.844 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 20.9 mtm -84.27 -41.79 16.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.89 0.376 . . . . 0.0 110.867 179.912 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -150.16 73.1 9.33 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 179.818 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -77.55 151.59 29.02 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.566 2.177 . . . . 0.0 112.322 -179.878 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 36.7 m -82.38 -118.1 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.075 0 CA-C-O 121.165 0.507 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.06 136.52 35.2 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.005 -179.812 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.5 ttt85 -154.85 31.89 0.4 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.889 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.6 p . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.908 179.96 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.9 p . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.854 0.359 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.664 HG21 ' HB3' ' A' ' 8' ' ' CYS . 3.1 t -96.25 163.25 2.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.2 -179.785 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.451 ' N ' HG12 ' A' ' 2' ' ' VAL . 19.9 mtt180 -78.62 -166.12 0.82 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.152 -179.509 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 tp -69.11 -24.81 64.16 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.73 -179.474 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.452 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 0.0 OUTLIER -156.33 40.2 0.36 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 120.906 0.384 . . . . 0.0 111.294 -179.914 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.58 ' O ' HG11 ' A' ' 2' ' ' VAL . 14.5 tt0 -105.17 159.44 15.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.634 179.546 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 24.3 p -73.91 148.66 42.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.841 179.993 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.664 ' HB3' HG21 ' A' ' 2' ' ' VAL . 17.1 p -109.41 -24.58 10.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.202 -179.879 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.63 HD12 ' O ' ' A' ' 9' ' ' LEU . 1.5 pp 25.87 93.1 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.298 -179.815 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 141.82 -28.27 2.28 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.425 179.912 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 74.54 -14.2 0.74 Allowed 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.187 0.439 . . . . 0.0 112.187 -179.957 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.56 -12.58 42.35 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 120.658 0.266 . . . . 0.0 111.125 -179.906 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.1 t -101.78 90.09 1.75 Allowed Pre-proline 0 C--N 1.332 -0.18 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.548 -179.643 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -68.21 158.66 56.53 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.386 2.058 . . . . 0.0 112.201 179.682 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.4 t -65.08 149.29 50.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.254 -179.975 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.5 m -74.45 1.72 11.16 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.833 -0.622 . . . . 0.0 112.317 -179.912 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.557 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 5.7 m-20 -111.92 140.25 23.19 Favored Pre-proline 0 CA--C 1.532 0.272 0 CA-C-O 121.044 0.449 . . . . 0.0 111.988 -178.951 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -55.49 137.57 78.05 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.551 2.167 . . . . 0.0 111.471 179.24 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.5 t 64.97 10.93 6.65 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 -179.336 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -103.42 124.67 49.14 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-O 120.792 0.329 . . . . 0.0 110.769 179.568 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.7 t -130.54 163.47 27.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.763 -179.775 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.0 t -70.49 140.06 51.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.996 0.427 . . . . 0.0 111.208 -179.845 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.411 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 38.8 t80 -134.52 126.03 28.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.399 179.963 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 13.2 m -96.69 130.33 43.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.208 -179.676 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.57 -8.91 57.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.223 179.497 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.537 ' CD2' ' CZ ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -142.77 -157.0 0.73 Allowed 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 179.666 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.537 ' CZ ' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -55.61 -68.62 0.18 Allowed 'General case' 0 N--CA 1.445 -0.677 0 CA-C-O 120.881 0.372 . . . . 0.0 110.371 179.597 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.9 p-10 -155.91 80.69 1.0 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.685 179.573 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.1 -70.73 0.16 Allowed 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -179.685 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.4 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 0.3 OUTLIER -83.9 67.21 9.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.911 0.386 . . . . 0.0 111.158 -179.509 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 13.9 m -99.09 113.13 25.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.99 179.944 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -133.87 165.38 25.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.149 179.965 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.9 t -56.01 141.19 40.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.105 0.478 . . . . 0.0 111.274 -179.844 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.8 mmm-85 -142.17 125.12 16.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.133 179.338 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.4 mtmp? -84.54 19.97 1.83 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.824 -179.687 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 58.97 109.37 0.02 OUTLIER 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.16 0.505 . . . . 0.0 111.252 179.796 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.35 55.67 4.38 Favored Glycine 0 N--CA 1.451 -0.329 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.555 179.919 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -89.97 75.16 7.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.855 0.36 . . . . 0.0 110.598 179.841 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.82 -17.87 57.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.438 -179.999 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 43.6 tpp -84.76 -42.04 15.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.865 179.876 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -150.33 73.87 9.07 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.154 -179.972 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -79.48 162.88 24.72 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.7 2.267 . . . . 0.0 112.287 -179.999 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 48.4 m -82.17 -117.82 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.09 0 CA-C-O 121.203 0.525 . . . . 0.0 110.877 179.916 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.4 m -82.01 121.64 26.79 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.085 -179.758 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.7 tpp85 -155.09 60.74 0.65 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.824 179.89 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.854 -179.971 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.792 0.329 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.593 HG21 ' HB3' ' A' ' 8' ' ' CYS . 11.4 t -95.8 161.78 2.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.299 -179.756 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.501 ' N ' HG12 ' A' ' 2' ' ' VAL . 1.7 mtt85 -78.22 -169.47 1.63 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.73 -179.463 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.9 tp -67.56 -30.21 69.78 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 120.804 0.335 . . . . 0.0 111.335 -179.508 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -154.89 69.87 0.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.228 179.884 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.432 ' HB2' ' HB2' ' A' ' 3' ' ' ARG . 5.5 tt0 -140.59 163.11 33.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.658 179.584 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 40.1 t -72.54 153.7 41.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.593 ' HB3' HG21 ' A' ' 2' ' ' VAL . 25.5 p -108.63 1.05 21.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.499 179.914 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 8' ' ' CYS . 0.9 OUTLIER 22.45 95.88 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 179.77 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 117.91 -24.88 8.68 Favored Glycine 0 C--N 1.33 0.215 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.643 179.749 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 74.45 -6.3 1.92 Allowed 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.78 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.642 ' OE1' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -96.12 34.94 1.49 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.912 0.387 . . . . 0.0 110.767 179.476 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.642 HG23 ' OE1' ' A' ' 12' ' ' GLN . 35.5 t -140.14 93.46 9.15 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.179 -179.8 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -62.98 152.38 79.67 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.325 2.017 . . . . 0.0 112.405 -179.895 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.7 t -65.65 146.23 55.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.57 -179.862 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 99.2 m -72.2 -10.34 59.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.376 179.476 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.537 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 1.9 m-20 -99.41 135.26 20.72 Favored Pre-proline 0 C--O 1.234 0.246 0 CA-C-O 120.961 0.41 . . . . 0.0 112.016 -178.953 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -54.7 139.36 76.99 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.503 2.135 . . . . 0.0 111.511 179.207 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.5 t 66.15 7.64 4.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.253 -179.372 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -105.52 132.2 51.98 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 120.719 0.295 . . . . 0.0 110.839 179.555 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.6 t -139.26 147.14 41.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.048 -179.654 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 50.5 t -73.44 138.93 45.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.133 179.793 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.474 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -142.3 150.47 40.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.633 179.626 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 30' ' ' PHE . 35.9 m -100.69 122.68 43.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.048 -179.872 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.415 ' HB2' ' HB3' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -73.44 -8.94 58.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.377 179.881 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.505 ' CE1' ' CE2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -144.93 -155.97 0.66 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.968 179.656 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.505 ' CE2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -56.17 -69.85 0.13 Allowed 'General case' 0 N--CA 1.445 -0.688 0 CA-C-O 120.86 0.362 . . . . 0.0 110.514 179.635 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -155.45 75.57 0.93 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.781 179.564 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.82 -59.35 0.14 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.572 -179.817 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.44 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 3.7 m-85 -85.1 55.47 3.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.114 -179.697 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.474 ' HA ' ' O ' ' A' ' 23' ' ' TYR . 37.9 m -95.83 96.66 9.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.761 179.908 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -139.28 165.44 27.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.107 0.479 . . . . 0.0 111.708 -179.758 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 4.7 t -55.67 146.49 20.82 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.579 -179.795 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.459 ' CG ' ' CD1' ' A' ' 23' ' ' TYR . 4.8 mmm180 -138.67 128.24 24.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.164 179.293 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.49 10.02 9.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.932 -179.623 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.06 110.72 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 121.185 0.517 . . . . 0.0 111.221 179.808 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -83.08 55.63 5.04 Favored Glycine 0 N--CA 1.452 -0.277 0 CA-C-N 115.432 -0.804 . . . . 0.0 112.506 179.973 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.2 p -89.74 74.97 7.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.925 0.393 . . . . 0.0 110.678 179.897 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.86 -18.51 60.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.483 -179.954 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.63 -36.3 22.09 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.78 179.898 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -150.22 69.0 8.87 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -76.74 155.09 34.93 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.532 2.155 . . . . 0.0 112.204 179.917 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 41.7 m -81.9 -117.46 0.02 OUTLIER 'General case' 0 N--CA 1.438 -1.031 0 CA-C-O 121.217 0.532 . . . . 0.0 110.754 179.986 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.2 m -81.78 85.03 6.69 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.115 -179.68 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.45 96.09 1.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.762 179.915 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 62.8 m . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.992 179.962 . . . . . . . . 0 0 . 1 stop_ save_