data_2ecj_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 2ecj _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.838 0.351 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 84.9 p -161.25 152.01 18.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.6 t -50.58 167.09 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.2 m -106.18 -37.18 6.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.5 t -71.52 -69.84 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.103 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.0 p -80.74 -15.46 56.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 23.9 mt 55.96 51.04 12.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -101.66 150.25 23.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.908 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -83.17 120.52 25.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -123.86 164.28 19.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.956 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -89.48 -39.17 13.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -134.58 81.5 47.86 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.676 0.75 . . . . 0.0 110.871 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 140.95 44.15 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.708 2.272 . . . . 0.0 112.354 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.7 t -74.86 102.37 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 27.6 mm -88.98 89.23 3.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.143 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 24.9 pt -61.6 176.9 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 33' ' ' CYS . 15.9 pt-20 -47.49 -46.86 27.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.408 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 0.8 OUTLIER -54.44 -54.29 42.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.925 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 130.16 -36.38 2.33 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.457 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -46.69 153.18 0.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.779 0.323 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -88.43 140.79 29.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.913 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -147.02 132.14 18.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 16.4 p -90.26 156.41 18.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.14 -44.35 21.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.48 -33.59 71.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 43' ' ' THR . 57.0 m -92.48 -69.71 0.73 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.454 HG22 ' N ' ' A' ' 43' ' ' THR . 8.0 tp -37.1 -29.48 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.114 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.471 ' N ' ' O ' ' A' ' 41' ' ' CYS . 17.5 m -74.39 -48.19 29.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.13 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 41' ' ' CYS . 12.6 tpt180 -45.27 -38.09 5.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 10.5 t-105 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.976 179.971 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.777 0.322 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.2 t -145.75 150.96 37.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.4 t -49.23 163.43 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.0 m -98.73 -18.38 18.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 77.3 t -98.1 -67.67 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.155 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.9 p -79.79 -4.01 50.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 16.3 mt 42.63 53.87 4.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -108.06 143.52 36.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -78.86 120.27 23.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -121.13 177.5 5.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.949 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.4 tttt -97.78 -45.08 6.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -131.93 82.74 58.86 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.619 0.723 . . . . 0.0 110.855 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 156.49 63.05 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.7 2.267 . . . . 0.0 112.342 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.3 t -86.39 92.12 3.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 81.8 mt -82.48 107.71 14.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 20.1 pt -82.24 -176.49 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.8 mp0 -52.77 -45.55 67.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -54.61 -58.27 8.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 136.89 -35.87 2.04 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.49 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.5 m170 -48.99 158.15 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.85 0.357 . . . . 0.0 110.855 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -96.73 147.92 23.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -151.92 133.72 14.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 17.8 p -93.69 155.91 16.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.466 ' HA ' ' CG2' ' A' ' 42' ' ' ILE . 8.0 tppt? -49.78 -40.56 41.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.939 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.491 ' O ' ' CG2' ' A' ' 43' ' ' THR . . . -59.73 -34.6 73.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 63.5 m -92.58 -67.29 0.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.466 ' CG2' ' HA ' ' A' ' 39' ' ' LYS . 4.8 tp -39.46 -36.0 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.491 ' CG2' ' O ' ' A' ' 40' ' ' ALA . 1.9 t -48.12 -50.24 29.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 72.9 ttt-85 -50.59 -43.32 56.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 10.7 t-105 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.807 0.337 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.2 p -159.53 149.55 18.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.6 t -45.67 167.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.847 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.5 m -105.76 -32.97 8.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 83.5 t -77.06 -67.21 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.11 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.8 p -82.24 -18.68 41.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.3 mt 58.44 52.6 6.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.945 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.413 ' O ' ' CD1' ' A' ' 25' ' ' LEU . 13.7 tt0 -104.27 148.37 26.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -80.38 127.49 32.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.911 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.413 ' CD1' ' O ' ' A' ' 23' ' ' GLU . 1.1 mp -131.43 162.6 29.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.896 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -85.58 -40.1 16.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -133.13 86.56 41.84 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.668 0.747 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 136.0 31.99 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.679 2.252 . . . . 0.0 112.331 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.2 t -75.08 91.37 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.159 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.455 HD12 ' ND2' ' A' ' 36' ' ' ASN . 46.2 mm -88.43 113.69 25.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 41.0 pt -84.83 -178.54 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -54.54 -46.71 73.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.403 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 1.0 OUTLIER -48.71 -39.46 24.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.403 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . 101.4 46.54 1.67 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.477 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 48.7 m170 -133.26 151.23 51.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.812 0.339 . . . . 0.0 110.84 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.455 ' ND2' HD12 ' A' ' 30' ' ' ILE . 2.1 m-80 -87.97 146.21 25.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -155.92 130.27 8.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' A' ' 40' ' ' ALA . 19.2 p -88.93 140.58 29.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.471 ' HA ' ' CG2' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -37.52 -27.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.886 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . -66.88 -49.57 65.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.068 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.472 ' O ' ' N ' ' A' ' 43' ' ' THR . 76.9 m -80.32 -66.09 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.471 ' CG2' ' HA ' ' A' ' 39' ' ' LYS . 9.0 tp -36.07 -30.81 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.149 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.472 ' N ' ' O ' ' A' ' 41' ' ' CYS . 15.9 m -76.42 -63.65 1.28 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.421 ' HD2' ' C ' ' A' ' 44' ' ' ARG . 0.5 OUTLIER -39.25 -28.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.449 ' N ' ' O ' ' A' ' 43' ' ' THR . 4.3 t-105 . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.814 0.34 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.4 t -159.69 153.1 22.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.852 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.5 t -56.8 167.21 0.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.2 m -102.4 -27.45 12.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.814 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 74.6 t -87.19 -65.84 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.106 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.0 p -80.34 -20.72 43.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.5 mt 59.53 54.26 4.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -107.21 146.76 31.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.859 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -80.53 115.58 20.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.89 174.34 6.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.943 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.462 ' N ' ' HD3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -97.83 -40.7 8.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 179.867 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -133.84 82.37 49.98 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.631 0.729 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 147.31 62.44 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.684 2.256 . . . . 0.0 112.296 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.5 t -79.61 84.97 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 56.6 mt -74.07 99.75 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 42.7 pt -67.1 177.11 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.142 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -51.15 -46.8 62.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -52.52 -59.04 4.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 139.92 -29.82 2.41 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 23.3 m170 -57.44 141.48 47.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.807 0.337 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -79.86 148.67 31.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -154.54 135.37 13.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 16.5 p -93.43 152.83 18.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.463 ' HA ' ' CG2' ' A' ' 42' ' ' ILE . 8.9 ttmt -46.72 -42.37 16.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.467 ' O ' ' CG2' ' A' ' 43' ' ' THR . . . -58.47 -30.93 67.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.078 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 56.8 m -95.03 -64.39 1.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.463 ' CG2' ' HA ' ' A' ' 39' ' ' LYS . 4.7 tp -44.43 -26.45 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.467 ' CG2' ' O ' ' A' ' 40' ' ' ALA . 3.3 t -57.33 -45.01 84.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.142 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 26.0 ttm180 -45.87 -52.8 10.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 7.7 t-105 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.814 0.34 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.5 p -173.59 156.98 3.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.6 t -60.05 166.91 2.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 71.8 m -103.37 -34.48 8.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 97.5 t -79.54 -70.05 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.158 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 32.1 p -77.06 -18.86 57.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.5 mt 56.83 53.28 8.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.402 ' HG2' ' N ' ' A' ' 24' ' ' TYR . 42.0 tt0 -101.67 162.1 13.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.402 ' N ' ' HG2' ' A' ' 23' ' ' GLU . 37.8 t80 -90.49 111.83 23.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.916 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 mp -119.86 152.35 37.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.927 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -76.7 -43.71 36.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -131.89 80.95 64.08 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.621 0.724 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 139.63 40.45 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.65 2.233 . . . . 0.0 112.301 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.4 t -69.43 96.46 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.175 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 80.7 mt -101.44 104.54 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 40.0 pt -73.99 -175.44 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -83.43 37.18 0.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 1.1 p -116.28 -40.36 3.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.424 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . 115.86 38.04 1.0 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.556 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.405 ' CD2' ' O ' ' A' ' 34' ' ' GLY . 32.2 m170 -146.49 158.11 43.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.789 0.328 . . . . 0.0 110.87 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -108.38 148.63 29.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -155.57 144.58 20.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.8 p -99.51 155.48 17.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.494 ' O ' ' CG2' ' A' ' 43' ' ' THR . 0.4 OUTLIER -48.7 -45.63 39.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.909 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.408 ' O ' ' CG2' ' A' ' 43' ' ' THR . . . -55.42 -32.8 63.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.06 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.462 ' O ' ' N ' ' A' ' 43' ' ' THR . 61.8 m -94.72 -67.71 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.464 ' CG2' ' HA ' ' A' ' 39' ' ' LYS . 8.3 tp -40.26 -24.99 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.494 ' CG2' ' O ' ' A' ' 39' ' ' LYS . 5.3 t -66.95 -49.28 65.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.135 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -53.46 -37.59 62.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 9.4 t-105 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.927 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.408 ' CB ' ' HG3' ' A' ' 28' ' ' PRO . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.808 0.337 . . . . 0.0 111.114 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.5 t -175.03 153.0 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.4 t -64.59 169.08 5.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.4 m -103.55 -40.57 6.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.837 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 86.5 t -71.16 -68.77 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.115 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.4 p -77.3 -28.8 53.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 16.6 mt 66.98 51.41 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -106.69 150.91 25.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -83.36 117.28 22.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.936 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 mp -118.17 170.42 8.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.49 ' HG2' ' N ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -97.33 -35.18 10.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.843 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.49 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 15.8 mm-40 -134.97 77.04 57.39 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.621 0.725 . . . . 0.0 110.929 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.408 ' HG3' ' CB ' ' A' ' 16' ' ' ALA . 54.0 Cg_endo -69.7 142.58 48.56 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.696 2.264 . . . . 0.0 112.345 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 81.4 t -74.63 95.29 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 30.5 mt -94.86 95.89 5.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.409 ' CD1' ' SG ' ' A' ' 33' ' ' CYS . 38.5 pt -71.88 176.59 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.122 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -48.31 -43.54 33.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.919 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.409 ' SG ' ' CD1' ' A' ' 31' ' ' ILE . 0.8 OUTLIER -59.02 -34.21 71.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 35' ' ' HIS . . . 113.58 -49.62 0.83 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.452 ' C ' ' O ' ' A' ' 34' ' ' GLY . 44.9 m170 -33.54 146.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.321 . . . . 0.0 110.863 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -102.96 150.97 23.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -155.64 131.9 10.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.477 ' O ' ' C ' ' A' ' 39' ' ' LYS . 29.6 p -80.58 144.78 32.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.477 ' C ' ' O ' ' A' ' 38' ' ' CYS . 3.4 mtmp? -32.02 -41.28 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . -60.5 -66.22 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.094 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 42' ' ' ILE . 92.5 m -58.56 -65.32 0.67 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.471 ' CG2' ' HA ' ' A' ' 39' ' ' LYS . 5.6 tp -36.12 -37.87 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.085 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.0 m -66.66 -49.79 65.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.17 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 41' ' ' CYS . 22.7 ttt180 -43.71 -41.59 4.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 12.9 t-105 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 -179.939 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.815 0.34 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.7 m -155.13 152.49 29.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.6 t -50.96 166.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 81.1 p -104.0 -36.62 7.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 98.7 t -73.46 -72.85 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.145 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.2 p -76.05 -19.21 58.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.3 mt 58.51 52.26 7.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -102.12 163.03 12.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -94.93 117.26 29.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.414 HD23 ' CB ' ' A' ' 38' ' ' CYS . 0.3 OUTLIER -123.46 152.22 41.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.919 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.9 mttm -78.68 -44.34 23.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -132.41 77.36 70.35 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.6 0.714 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 176.96 6.1 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.672 2.248 . . . . 0.0 112.328 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.4 t -103.27 111.68 33.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.2 mp -112.06 105.79 19.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.097 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 44.6 pt -80.98 -176.46 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.118 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -60.61 -46.19 91.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.487 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 0.9 OUTLIER -39.49 -44.15 1.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.863 -179.888 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.487 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . 104.42 52.5 0.87 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.505 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.434 ' CD2' ' O ' ' A' ' 34' ' ' GLY . 43.9 m170 -141.97 165.34 27.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.0 110.832 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -105.07 142.07 35.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -152.45 138.14 17.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.414 ' CB ' HD23 ' A' ' 25' ' ' LEU . 17.1 p -92.82 160.61 14.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.467 ' HA ' ' CG2' ' A' ' 42' ' ' ILE . 38.5 mmtm -57.81 -29.42 64.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.42 -31.02 69.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.079 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 43' ' ' THR . 69.5 m -95.04 -65.92 0.95 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.467 ' CG2' ' HA ' ' A' ' 39' ' ' LYS . 6.7 tp -36.24 -31.45 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.135 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.466 ' N ' ' O ' ' A' ' 41' ' ' CYS . 8.8 t -64.59 -48.44 74.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 41' ' ' CYS . 56.6 ttm-85 -45.89 -50.99 13.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.836 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 6.3 t-105 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 -179.971 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.778 0.323 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 75.6 p -174.27 156.97 2.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.6 t -58.48 167.25 1.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 79.8 p -102.84 -39.53 6.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.2 t -73.12 -71.72 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.102 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.7 p -74.68 -25.83 59.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.8 mt 65.09 54.77 1.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -105.44 150.92 24.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -83.59 117.48 23.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.962 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.3 mp -125.26 159.98 30.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.916 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.3 ttmm -81.75 -46.4 14.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -130.27 82.54 65.43 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.652 0.739 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 143.61 51.25 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.657 2.238 . . . . 0.0 112.365 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 99.7 t -78.44 95.76 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 54.5 mt -96.24 105.97 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 47.5 pt -71.91 -176.7 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -82.46 39.35 0.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.448 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 1.0 OUTLIER -117.74 -41.53 2.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.475 ' O ' ' CD2' ' A' ' 35' ' ' HIS . . . 117.83 41.83 0.64 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.519 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.475 ' CD2' ' O ' ' A' ' 34' ' ' GLY . 29.1 m170 -149.7 179.12 8.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.839 0.352 . . . . 0.0 110.835 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -123.75 150.31 44.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.918 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -153.65 144.4 22.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 40' ' ' ALA . 27.1 p -95.55 146.83 24.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.461 ' HA ' ' CG2' ' A' ' 42' ' ' ILE . 0.9 OUTLIER -35.66 -30.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . -70.31 -55.83 8.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.102 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.473 ' O ' ' N ' ' A' ' 43' ' ' THR . 92.9 m -67.03 -63.29 1.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.926 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.461 ' CG2' ' HA ' ' A' ' 39' ' ' LYS . 3.9 tp -36.04 -31.61 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 41' ' ' CYS . 25.0 m -63.73 -55.42 23.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.169 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 43' ' ' THR . 24.0 ttt180 -37.72 -46.04 0.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 5.3 t-105 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.957 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.776 0.322 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 85.1 p -165.44 152.23 10.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.833 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.6 t -53.73 160.46 1.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.4 m -101.5 -3.85 27.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.7 t -113.18 -55.31 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.159 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.477 ' O ' ' N ' ' A' ' 23' ' ' GLU . 24.6 p -102.63 15.58 28.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 21' ' ' CYS . 3.0 mm? 34.01 34.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 21' ' ' CYS . 36.5 tt0 -73.4 148.99 42.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -89.37 122.33 32.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.35 159.5 41.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.0 tppt? -87.93 -46.02 9.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.4 tp10 -126.39 84.15 62.73 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.69 0.757 . . . . 0.0 110.932 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 155.82 64.97 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.679 2.253 . . . . 0.0 112.356 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.0 t -80.96 102.78 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.134 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.529 ' CD1' ' ND2' ' A' ' 36' ' ' ASN . 36.5 mm -94.33 116.44 35.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.185 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.4 pt -95.2 -175.29 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.177 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -51.38 -42.79 61.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.24 -35.08 79.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.86 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 35' ' ' HIS . . . 112.1 -50.23 0.79 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.472 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 34' ' ' GLY . 47.6 m170 -34.65 142.56 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.819 0.342 . . . . 0.0 110.858 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.694 HD21 ' N ' ' A' ' 36' ' ' ASN . 0.7 OUTLIER -89.17 154.72 19.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -155.09 139.99 17.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.5 p -91.45 151.73 20.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.472 ' HA ' ' CG2' ' A' ' 42' ' ' ILE . 6.3 mtmp? -48.79 -37.85 20.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.58 -31.19 71.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.086 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 42' ' ' ILE . 56.4 m -94.78 -68.72 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.472 ' CG2' ' HA ' ' A' ' 39' ' ' LYS . 6.0 tp -37.4 -39.92 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.088 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.9 t -46.97 -47.94 21.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 -58.02 -43.22 86.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 9.6 t-105 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.995 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.82 0.343 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.1 m -165.04 158.71 17.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.6 t -56.57 167.09 0.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 73.3 m -103.34 -27.99 12.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.433 ' O ' ' CD2' ' A' ' 22' ' ' LEU . 79.1 t -88.34 -64.47 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.153 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 22' ' ' LEU . 29.9 p -86.58 1.22 52.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.433 ' CD2' ' O ' ' A' ' 20' ' ' VAL . 0.2 OUTLIER 34.38 51.6 0.46 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -100.2 148.67 24.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -81.93 123.54 28.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.924 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.407 ' CD2' ' HB3' ' A' ' 38' ' ' CYS . 0.2 OUTLIER -129.55 161.35 30.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.1 mmtp -96.45 -36.62 10.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -129.69 72.76 81.89 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.648 0.737 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -172.96 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.694 2.263 . . . . 0.0 112.345 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.8 t -127.25 101.17 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.2 mp -95.51 85.42 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.178 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 39.7 pt -51.74 -174.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -80.72 40.28 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -128.4 -31.46 2.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 117.46 -51.73 0.72 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -51.25 169.42 0.05 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.778 0.323 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -111.01 151.84 27.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -153.86 138.76 17.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 39' ' ' LYS . 31.8 p -95.45 147.05 23.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 38' ' ' CYS . 3.3 tptt -33.33 -42.7 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.08 -67.87 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 81.2 m -57.3 -65.26 0.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.426 ' CG2' ' HA ' ' A' ' 39' ' ' LYS . 9.4 tp -39.1 -32.28 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.186 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 45' ' ' TRP . 3.1 m -76.51 -61.61 1.9 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.138 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -40.71 -25.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.453 ' N ' ' O ' ' A' ' 43' ' ' THR . 4.9 t-105 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.934 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.429 ' CB ' ' HG3' ' A' ' 28' ' ' PRO . . . . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.801 0.334 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.6 m -63.2 154.73 30.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.0 t -53.52 166.4 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.1 p -100.23 -32.81 10.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.7 t -81.88 -74.31 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.153 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.6 p -71.48 -14.14 62.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 39.9 mt 53.49 52.96 12.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -109.1 149.26 29.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -83.21 124.86 30.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.968 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -129.78 160.62 32.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.7 mttm -84.02 -42.31 16.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -130.47 81.1 68.87 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.627 0.727 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.429 ' HG3' ' CB ' ' A' ' 16' ' ' ALA . 53.2 Cg_endo -69.78 145.65 57.69 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.656 2.237 . . . . 0.0 112.312 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.9 t -79.28 92.8 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 25.9 mt -82.33 105.94 12.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 30.5 pt -69.83 -174.78 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -81.38 40.71 0.58 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.9 t -133.89 -48.72 0.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 133.41 -28.91 3.23 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.461 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 23.7 m80 -62.78 166.42 5.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.793 0.33 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -103.02 142.31 34.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -149.53 134.49 17.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.825 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 17.1 p -97.81 156.89 16.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.7 ptpp? -52.58 -37.04 57.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.31 -30.21 70.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.093 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 42' ' ' ILE . 56.9 m -93.47 -72.47 0.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 41' ' ' CYS . 8.7 tp -36.17 -35.41 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 99.6 m -73.21 -64.03 1.06 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -49.74 -31.47 11.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 7.8 t-105 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.958 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.782 0.325 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 86.7 p -173.07 147.4 1.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.5 t -48.4 167.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.4 m -107.14 -39.82 5.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.0 t -70.48 -65.29 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.12 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 32.0 p -82.19 -19.81 39.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 76.3 mt 58.8 50.16 9.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.417 ' HG2' ' N ' ' A' ' 24' ' ' TYR . 20.9 tt0 -101.01 149.12 24.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.417 ' N ' ' HG2' ' A' ' 23' ' ' GLU . 68.3 t80 -82.7 124.1 29.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.91 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.0 144.46 50.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.952 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -70.27 -46.63 63.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -130.57 75.64 78.63 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.625 0.726 . . . . 0.0 110.857 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 163.39 38.44 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.663 2.242 . . . . 0.0 112.396 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.5 t -73.68 92.25 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.463 HG12 ' ND2' ' A' ' 36' ' ' ASN . 63.2 mt -93.58 80.09 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.2 pt -61.91 -177.47 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -81.99 39.1 0.55 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -123.33 -37.02 2.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 125.47 -53.78 0.77 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.533 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -57.71 174.77 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.823 0.344 . . . . 0.0 110.853 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.509 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 9.3 m120 -127.02 153.38 46.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.509 ' CD1' ' O ' ' A' ' 36' ' ' ASN . 50.0 m-85 -154.06 145.42 23.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 27.7 p -94.22 149.98 20.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm -46.16 -20.5 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -80.65 -37.65 30.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.117 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 89.6 m -95.87 -61.04 1.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.428 ' CG1' ' HB2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -42.13 -32.15 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 10.1 t -61.71 -44.08 97.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.172 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 47.0 ttt180 -48.86 -59.23 3.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 15.8 t-105 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.966 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.449 ' CB ' ' HG3' ' A' ' 28' ' ' PRO . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.791 0.329 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.6 p -169.68 144.17 2.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.846 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.2 t -42.74 165.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.84 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.0 m -102.54 -6.33 22.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.832 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 92.0 t -112.27 -58.06 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.451 ' O ' ' C ' ' A' ' 22' ' ' LEU . 28.4 p -99.6 12.82 35.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.451 ' C ' ' O ' ' A' ' 21' ' ' CYS . 3.3 mm? 34.03 41.08 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.925 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -75.7 158.26 32.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -93.61 118.96 32.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.03 136.9 42.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.947 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.427 ' HG2' ' N ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -68.26 -34.86 76.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 179.779 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.427 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 5.5 pt-20 -131.62 81.34 64.31 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.648 0.737 . . . . 0.0 110.909 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.449 ' HG3' ' CB ' ' A' ' 16' ' ' ALA . 53.5 Cg_endo -69.71 142.21 47.52 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.717 2.278 . . . . 0.0 112.356 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.5 t -67.93 91.34 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.122 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 40.5 mt -91.15 81.35 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.13 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 33.0 pt -56.69 -175.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.48 36.35 0.53 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.478 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 1.2 p -119.33 -43.39 2.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.478 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . 113.06 45.92 0.73 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.508 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -146.92 176.97 9.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.793 0.33 . . . . 0.0 110.843 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -118.19 141.62 48.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -155.14 136.67 14.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.8 p -93.56 151.68 19.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.469 ' HA ' ' CG2' ' A' ' 42' ' ' ILE . 2.7 mptp? -43.98 -45.96 8.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.92 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.83 -36.87 67.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 60.9 m -89.02 -69.94 0.68 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.469 ' CG2' ' HA ' ' A' ' 39' ' ' LYS . 8.0 tp -36.86 -35.69 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.092 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 100.0 m -72.65 -49.35 32.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.14 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.51 ' NE ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -51.07 -23.44 3.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 4.7 t-105 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.958 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.79 0.329 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 99.7 p -174.27 154.42 2.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.6 t -62.89 165.9 6.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.9 p -102.38 -34.85 9.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.7 t -77.59 -73.03 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.123 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.5 p -72.58 -16.86 61.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 64.8 mt 56.79 53.06 8.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -108.07 156.25 19.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -89.68 121.86 32.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.3 mp -127.09 138.51 53.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.5 ptmt -63.05 -42.13 99.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -134.76 82.21 44.86 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.683 0.754 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 156.66 62.61 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.69 2.26 . . . . 0.0 112.319 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 66.0 t -80.68 121.89 34.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.3 mp -113.82 100.31 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 39.3 pt -76.65 179.13 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.11 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -46.34 -46.33 18.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -60.98 -35.99 78.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.479 ' O ' ' C ' ' A' ' 35' ' ' HIS . . . 113.04 -48.25 0.96 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.455 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.479 ' C ' ' O ' ' A' ' 34' ' ' GLY . 66.4 m170 -32.1 135.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.823 0.344 . . . . 0.0 110.83 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.5 m120 -80.2 151.3 29.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -155.85 142.57 18.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 19.3 p -99.3 152.6 19.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.938 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.439 ' HA ' ' CG2' ' A' ' 42' ' ' ILE . 38.5 mmtt -46.4 -35.84 5.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.413 ' O ' ' CG2' ' A' ' 43' ' ' THR . . . -64.38 -37.14 86.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 43' ' ' THR . 86.4 m -95.47 -64.38 1.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.439 ' CG2' ' HA ' ' A' ' 39' ' ' LYS . 5.4 tp -38.64 -26.29 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.138 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.492 ' N ' ' O ' ' A' ' 41' ' ' CYS . 4.7 t -66.04 -46.14 78.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.203 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 41' ' ' CYS . 38.0 ttt180 -49.26 -57.36 6.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 9.7 t-105 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.769 0.318 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.7 m -157.51 148.46 21.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.2 t -47.65 166.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.0 m -104.51 -34.98 8.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 64.9 t -77.0 -70.79 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.124 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.3 p -76.17 -16.03 59.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.7 mt 55.72 49.04 17.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -98.01 159.8 14.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -95.01 121.23 36.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.962 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.46 160.86 31.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.461 ' HD2' ' N ' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -84.31 -44.11 14.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.839 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -131.23 78.42 72.52 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.643 0.735 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -177.82 2.06 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.678 2.252 . . . . 0.0 112.375 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 43.1 t -108.7 119.62 58.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.9 mp -109.22 138.37 36.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 42.3 pt -113.33 175.8 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -43.2 -45.78 5.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 9.9 t -60.35 -50.03 75.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 128.53 -40.92 1.64 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.467 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 28.8 m170 -39.69 142.83 0.28 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.839 0.352 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -89.88 150.54 22.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -153.26 137.48 16.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 18.1 p -91.58 150.74 21.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.8 tppt? -52.09 -20.35 2.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.48 -31.21 47.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.08 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 59.7 m -95.11 -58.24 2.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.41 HG23 ' N ' ' A' ' 43' ' ' THR . 10.6 tp -48.12 -25.36 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.41 ' N ' HG23 ' A' ' 42' ' ' ILE . 6.4 t -64.89 -39.25 93.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.164 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 30.0 ttt85 -57.82 -37.13 73.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 8.2 t-105 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.96 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.819 0.342 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.9 p -170.95 155.55 4.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.1 t -52.29 167.77 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 80.8 p -106.03 -12.66 15.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.1 t -104.25 -48.04 9.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.12 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 22' ' ' LEU . 21.8 p -109.54 12.33 24.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 21' ' ' CYS . 3.3 mm? 33.98 40.38 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -74.17 150.99 40.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -89.65 102.91 15.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.94 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.412 HD21 ' CB ' ' A' ' 38' ' ' CYS . 0.5 OUTLIER -118.19 155.24 30.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.2 mttm -81.0 -43.88 18.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -133.82 80.22 55.98 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.667 0.746 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 147.6 63.54 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.675 2.25 . . . . 0.0 112.379 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.4 t -70.2 91.14 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.117 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.401 ' O ' ' O ' ' A' ' 31' ' ' ILE . 37.9 mt -88.02 83.7 2.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.152 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.401 ' O ' ' O ' ' A' ' 30' ' ' ILE . 43.4 pt -50.69 -176.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.119 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.67 41.57 0.49 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -128.15 -33.0 2.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.849 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.74 -52.57 0.74 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.483 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 34.5 m80 -53.23 179.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.795 0.331 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.424 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 2.4 m-80 -123.57 158.65 30.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.424 ' CD1' ' C ' ' A' ' 36' ' ' ASN . 83.7 m-85 -155.76 145.84 21.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.832 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.412 ' CB ' HD21 ' A' ' 25' ' ' LEU . 15.8 p -99.95 150.8 22.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 42.8 mmtt -45.84 -35.93 4.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.18 -32.82 74.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 42' ' ' ILE . 53.6 m -90.42 -70.03 0.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.47 HG22 ' N ' ' A' ' 43' ' ' THR . 6.7 tp -36.37 -42.26 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.124 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.474 HG21 ' N ' ' A' ' 44' ' ' ARG . 9.7 t -51.33 -45.64 62.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.09 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.474 ' N ' HG21 ' A' ' 43' ' ' THR . 29.2 ttp180 -48.79 -56.42 8.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 5.9 t-105 . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.967 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.807 0.337 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.7 m -148.1 139.66 23.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.7 t -45.49 167.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 94.3 p -102.45 -41.41 6.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.4 t -70.25 -69.87 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.137 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.1 p -74.31 -19.09 60.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 76.7 mt 59.33 50.72 7.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -113.5 148.67 35.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.84 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -86.51 121.62 29.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.437 HD22 ' CB ' ' A' ' 38' ' ' CYS . 0.2 OUTLIER -125.23 171.14 10.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.918 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.63 101.97 13.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.438 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 16.3 tp10 75.02 54.93 0.24 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.572 0.701 . . . . 0.0 110.919 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.438 ' CD ' ' N ' ' A' ' 27' ' ' GLU . 53.7 Cg_endo -69.75 159.91 51.67 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.71 2.274 . . . . 0.0 112.349 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.1 t -61.62 117.71 3.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.191 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 44.3 mt -119.3 80.83 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 31.1 pt -63.39 161.84 2.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.127 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -42.34 -47.98 4.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 31.0 t -41.71 -44.69 3.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 118.48 -33.18 4.93 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.415 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 33.5 m170 -58.61 151.39 20.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.81 0.338 . . . . 0.0 110.863 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -98.45 149.41 22.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.419 ' CZ ' ' HB2' ' A' ' 35' ' ' HIS . 19.0 m-85 -153.15 138.44 17.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.437 ' CB ' HD22 ' A' ' 25' ' ' LEU . 14.3 p -101.35 148.46 25.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.921 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.465 ' HA ' ' CG2' ' A' ' 42' ' ' ILE . 36.8 mmtm -44.99 -40.13 6.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.4 ' O ' ' CG2' ' A' ' 43' ' ' THR . . . -59.47 -35.4 74.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 42' ' ' ILE . 67.1 m -93.26 -69.15 0.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.465 ' CG2' ' HA ' ' A' ' 39' ' ' LYS . 4.4 tp -36.02 -39.78 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.174 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.4 ' CG2' ' O ' ' A' ' 39' ' ' LYS . 3.5 t -44.8 -49.08 10.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.08 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.403 ' HB2' ' NH1' ' A' ' 44' ' ' ARG . 0.1 OUTLIER -54.02 -47.79 71.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 9.1 t-105 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.936 -179.96 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.445 ' CB ' ' HG3' ' A' ' 28' ' ' PRO . . . . . . . . 0 N--CA 1.457 -0.12 0 CA-C-O 120.762 0.315 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 82.7 p -167.02 158.31 12.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.837 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.9 t -61.74 168.79 2.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.3 m -105.28 -40.92 5.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.9 t -70.46 -67.84 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.139 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.4 p -79.74 -25.67 41.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.3 mt 66.21 54.65 0.94 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 24' ' ' TYR . 15.9 tp10 -104.6 152.87 21.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.457 ' N ' ' HG3' ' A' ' 23' ' ' GLU . 20.3 m-85 -85.1 121.11 27.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.93 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.4 mp -129.71 142.8 50.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -68.83 -41.44 78.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -134.78 79.36 52.63 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.665 0.745 . . . . 0.0 110.862 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.445 ' HG3' ' CB ' ' A' ' 16' ' ' ALA . 53.9 Cg_endo -69.78 151.46 68.95 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.711 2.274 . . . . 0.0 112.343 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.4 t -66.35 85.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.087 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 24.5 mt -88.68 82.51 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 44.9 pt -66.33 -176.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -81.38 39.82 0.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -125.18 -35.82 2.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.3 -51.63 0.78 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.5 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -59.53 167.26 2.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.594 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 12.8 m120 -118.05 152.46 35.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.594 ' CD1' ' O ' ' A' ' 36' ' ' ASN . 38.2 m-85 -153.49 139.81 18.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 41' ' ' CYS . 31.3 p -92.17 152.58 19.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.3 mmmm -42.5 -28.92 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.968 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -76.56 -36.54 57.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.073 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.463 ' N ' ' O ' ' A' ' 38' ' ' CYS . 84.8 m -93.67 -65.82 0.96 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.536 ' CG2' ' N ' ' A' ' 43' ' ' THR . 0.1 OUTLIER -36.98 -45.52 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.148 179.913 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.536 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 77.3 m -59.92 -50.25 74.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.125 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -40.49 -39.48 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 6.9 t-105 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 -179.944 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.798 0.332 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 91.5 p -174.7 152.43 1.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.4 t -54.64 167.42 0.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 t -102.59 -37.45 7.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 80.4 t -75.48 -71.76 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.12 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.5 p -75.53 -26.93 58.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.4 mt 67.47 53.09 0.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -98.23 158.09 15.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -88.73 117.21 27.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 mp -129.27 140.83 51.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.96 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.8 tptm -66.65 -41.43 88.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -134.21 89.2 28.73 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.65 0.738 . . . . 0.0 110.85 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 147.4 63.15 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.682 2.255 . . . . 0.0 112.367 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.2 t -75.98 87.81 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.138 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.1 mt -74.76 105.66 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 40.0 pt -78.87 175.16 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.154 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -46.96 -47.13 21.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -56.42 -49.5 74.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 131.35 -40.93 1.57 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.479 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 22.9 m170 -45.23 163.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.845 0.355 . . . . 0.0 110.835 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -102.31 152.42 21.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -155.78 130.86 9.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.476 ' O ' ' C ' ' A' ' 39' ' ' LYS . 30.3 p -87.39 146.4 25.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.476 ' C ' ' O ' ' A' ' 38' ' ' CYS . 1.4 mptp? -32.27 -42.93 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.83 -59.08 6.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 42' ' ' ILE . 86.7 m -65.76 -67.35 0.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.467 ' CG2' ' HA ' ' A' ' 39' ' ' LYS . 4.2 tp -36.1 -34.2 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.129 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.417 ' N ' ' O ' ' A' ' 41' ' ' CYS . 8.4 m -69.54 -50.92 40.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.149 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 41' ' ' CYS . 7.7 tpt180 -42.57 -40.78 2.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 10.1 t-105 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.93 -179.975 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.814 0.34 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.53 ' HB3' ' CD1' ' A' ' 24' ' ' TYR . 37.1 p -121.66 148.66 44.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.3 t -46.47 136.02 7.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.7 t -88.37 24.2 1.98 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.6 t -132.28 -63.42 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.3 p -86.08 -9.76 56.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 52.2 mt 62.3 53.89 2.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -123.58 140.99 52.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.53 ' CD1' ' HB3' ' A' ' 17' ' ' SER . 78.2 m-85 -85.95 121.96 29.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -129.0 162.49 27.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.919 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.33 113.64 25.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.435 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 8.9 mt-10 64.58 55.02 1.39 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.653 0.74 . . . . 0.0 110.925 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.435 ' CD ' ' N ' ' A' ' 27' ' ' GLU . 53.8 Cg_endo -69.75 156.29 63.76 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.639 2.226 . . . . 0.0 112.36 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 50.3 t -63.98 134.39 28.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.13 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.453 HD12 ' ND2' ' A' ' 36' ' ' ASN . 40.8 mm -135.52 108.34 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.412 ' O ' ' N ' ' A' ' 34' ' ' GLY . 44.6 pt -82.52 163.72 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -37.51 -42.93 0.56 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 28.3 t -53.91 -46.55 71.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 31' ' ' ILE . . . 119.99 -38.28 2.82 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.521 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -47.58 130.13 13.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.798 0.332 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.458 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 1.1 m120 -73.22 154.52 40.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.458 ' CD1' ' O ' ' A' ' 36' ' ' ASN . 66.6 m-85 -155.72 135.47 12.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.6 p -99.28 155.68 17.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.467 ' HA ' ' CG2' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -47.1 -39.26 12.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 179.918 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.66 -30.32 71.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.082 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 43' ' ' THR . 56.8 m -95.32 -66.31 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.467 ' CG2' ' HA ' ' A' ' 39' ' ' LYS . 6.0 tp -36.96 -31.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 41' ' ' CYS . 98.7 m -74.93 -49.98 18.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.135 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.3 tpm_? -44.62 -36.57 3.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 8.8 t-105 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.1 t -135.9 116.77 14.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.88 0.371 . . . . 0.0 110.872 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -112.4 172.51 6.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.83 80.02 0.71 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.488 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -129.7 -61.62 1.0 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.846 0.355 . . . . 0.0 110.866 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.2 m -102.13 154.2 19.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.53 164.43 9.99 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.506 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -110.18 40.06 2.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.775 0.322 . . . . 0.0 111.048 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.4 tt -48.51 -61.14 2.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.433 ' O ' ' CG ' ' A' ' 11' ' ' ASN . 11.3 pt-20 -171.27 114.33 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.433 ' CG ' ' O ' ' A' ' 10' ' ' GLU . 5.9 m-80 -162.56 131.87 4.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.926 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.6 mp -86.38 81.08 8.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.943 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -168.77 137.71 2.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.6 t -123.96 138.75 52.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.125 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -148.67 158.62 44.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -113.76 -179.36 3.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.103 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 84.9 p -161.25 152.01 18.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.6 t -50.58 167.09 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.2 m -106.18 -37.18 6.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.5 t -71.52 -69.84 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.103 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.0 p -80.74 -15.46 56.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 23.9 mt 55.96 51.04 12.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -101.66 150.25 23.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.908 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -83.17 120.52 25.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -123.86 164.28 19.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.956 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -89.48 -39.17 13.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -134.58 81.5 47.86 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.676 0.75 . . . . 0.0 110.871 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 140.95 44.15 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.708 2.272 . . . . 0.0 112.354 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.7 t -74.86 102.37 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 27.6 mm -88.98 89.23 3.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.143 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 24.9 pt -61.6 176.9 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 33' ' ' CYS . 15.9 pt-20 -47.49 -46.86 27.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.408 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 0.8 OUTLIER -54.44 -54.29 42.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.925 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 130.16 -36.38 2.33 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.457 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -46.69 153.18 0.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.779 0.323 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -88.43 140.79 29.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.913 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -147.02 132.14 18.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 16.4 p -90.26 156.41 18.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.14 -44.35 21.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.48 -33.59 71.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 43' ' ' THR . 57.0 m -92.48 -69.71 0.73 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.454 HG22 ' N ' ' A' ' 43' ' ' THR . 8.0 tp -37.1 -29.48 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.114 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.471 ' N ' ' O ' ' A' ' 41' ' ' CYS . 17.5 m -74.39 -48.19 29.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.13 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 41' ' ' CYS . 12.6 tpt180 -45.27 -38.09 5.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 10.5 t-105 -91.54 -43.45 9.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.976 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.528 ' O ' ' CG ' ' A' ' 46' ' ' TRP . 23.9 t90 -81.35 41.63 0.62 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.914 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.435 ' HG3' ' N ' ' A' ' 48' ' ' ASP . 11.4 pt-20 -74.1 -42.48 60.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.435 ' N ' ' HG3' ' A' ' 47' ' ' GLU . 3.1 p30 -102.72 175.07 5.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 51.2 mt -83.06 43.19 0.85 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -85.9 49.61 1.81 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 -44.12 -44.55 7.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -82.56 92.35 7.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.812 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.524 ' CG ' ' HD2' ' A' ' 54' ' ' PRO . 4.0 t80 -163.9 140.55 5.38 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.666 0.746 . . . . 0.0 110.91 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 53' ' ' PHE . 54.1 Cg_endo -69.71 156.24 64.02 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.71 2.273 . . . . 0.0 112.309 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 37.5 t -58.75 137.17 86.79 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.601 0.715 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -48.24 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.69 2.26 . . . . 0.0 112.384 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.5 t -57.55 -55.66 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 59.5 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.952 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.7 m -134.8 154.69 51.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.892 0.377 . . . . 0.0 110.895 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -61.84 105.81 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.72 -141.34 3.9 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.471 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.7 m -45.08 148.54 0.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.833 0.349 . . . . 0.0 110.872 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.7 m -159.37 124.05 4.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.808 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.53 148.59 20.35 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.49 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -49.0 116.81 1.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.798 0.332 . . . . 0.0 111.082 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 22.4 mt -115.37 106.97 14.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -142.33 164.55 29.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.1 p30 -114.83 43.4 1.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.0 mp 48.94 43.3 21.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -93.02 70.47 4.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.1 m -88.37 149.34 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.119 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.434 ' C ' ' CD ' ' A' ' 15' ' ' GLU . 2.1 pp20? -138.08 139.08 39.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -110.91 139.66 46.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.13 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.2 t -145.75 150.96 37.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.4 t -49.23 163.43 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.0 m -98.73 -18.38 18.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 77.3 t -98.1 -67.67 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.155 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.9 p -79.79 -4.01 50.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 16.3 mt 42.63 53.87 4.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -108.06 143.52 36.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -78.86 120.27 23.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -121.13 177.5 5.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.949 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.4 tttt -97.78 -45.08 6.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -131.93 82.74 58.86 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.619 0.723 . . . . 0.0 110.855 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 156.49 63.05 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.7 2.267 . . . . 0.0 112.342 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.3 t -86.39 92.12 3.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 81.8 mt -82.48 107.71 14.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 20.1 pt -82.24 -176.49 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.8 mp0 -52.77 -45.55 67.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -54.61 -58.27 8.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 136.89 -35.87 2.04 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.49 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.5 m170 -48.99 158.15 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.85 0.357 . . . . 0.0 110.855 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -96.73 147.92 23.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -151.92 133.72 14.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 17.8 p -93.69 155.91 16.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.466 ' HA ' ' CG2' ' A' ' 42' ' ' ILE . 8.0 tppt? -49.78 -40.56 41.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.939 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.491 ' O ' ' CG2' ' A' ' 43' ' ' THR . . . -59.73 -34.6 73.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 63.5 m -92.58 -67.29 0.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.466 ' CG2' ' HA ' ' A' ' 39' ' ' LYS . 4.8 tp -39.46 -36.0 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.491 ' CG2' ' O ' ' A' ' 40' ' ' ALA . 1.9 t -48.12 -50.24 29.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 72.9 ttt-85 -50.59 -43.32 56.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 10.7 t-105 -89.9 24.17 2.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.434 ' O ' ' C ' ' A' ' 47' ' ' GLU . 1.9 t90 -123.71 -40.29 2.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.912 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 46' ' ' TRP . 8.9 tt0 -35.4 -40.34 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -91.44 79.64 5.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.839 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -83.8 20.58 1.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -114.08 -46.84 2.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 68.2 mmt-85 -78.23 162.82 26.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.824 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.34 123.46 40.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 51' ' ' ARG . 26.0 m-85 -141.21 143.83 32.25 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.641 0.734 . . . . 0.0 110.886 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 176.68 6.42 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.718 2.279 . . . . 0.0 112.363 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 54.1 t -51.81 134.32 37.21 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.636 0.732 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -44.37 2.16 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.708 2.272 . . . . 0.0 112.345 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 76.8 t -61.71 -52.83 56.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.112 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 85.0 m . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.959 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 m 40.83 42.16 1.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.899 0.381 . . . . 0.0 110.876 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.3 p -128.12 123.26 34.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.84 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.9 -64.73 0.43 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.489 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.5 p -120.7 84.35 2.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 0.0 110.793 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 m -165.03 177.07 8.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.32 -145.94 6.96 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -97.94 39.73 1.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.848 0.356 . . . . 0.0 111.127 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.2 126.62 29.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -108.34 131.7 54.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -80.51 94.71 6.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 mp -142.5 123.39 14.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -127.0 41.5 3.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.0 m -82.46 159.14 3.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.107 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -167.81 133.12 1.9 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.08 126.73 31.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.2 p -159.53 149.55 18.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.6 t -45.67 167.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.847 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.5 m -105.76 -32.97 8.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 83.5 t -77.06 -67.21 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.11 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.8 p -82.24 -18.68 41.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.3 mt 58.44 52.6 6.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.945 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.413 ' O ' ' CD1' ' A' ' 25' ' ' LEU . 13.7 tt0 -104.27 148.37 26.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -80.38 127.49 32.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.911 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.413 ' CD1' ' O ' ' A' ' 23' ' ' GLU . 1.1 mp -131.43 162.6 29.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.896 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -85.58 -40.1 16.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -133.13 86.56 41.84 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.668 0.747 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 136.0 31.99 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.679 2.252 . . . . 0.0 112.331 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.2 t -75.08 91.37 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.159 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.455 HD12 ' ND2' ' A' ' 36' ' ' ASN . 46.2 mm -88.43 113.69 25.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 41.0 pt -84.83 -178.54 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -54.54 -46.71 73.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.403 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 1.0 OUTLIER -48.71 -39.46 24.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.403 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . 101.4 46.54 1.67 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.477 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.543 ' CE1' HG11 ' A' ' 57' ' ' VAL . 48.7 m170 -133.26 151.23 51.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.812 0.339 . . . . 0.0 110.84 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.455 ' ND2' HD12 ' A' ' 30' ' ' ILE . 2.1 m-80 -87.97 146.21 25.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.534 ' CZ ' HG23 ' A' ' 57' ' ' VAL . 82.1 m-85 -155.92 130.27 8.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' A' ' 40' ' ' ALA . 19.2 p -88.93 140.58 29.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.471 ' HA ' ' CG2' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -37.52 -27.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.886 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . -66.88 -49.57 65.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.068 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.472 ' O ' ' N ' ' A' ' 43' ' ' THR . 76.9 m -80.32 -66.09 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.471 ' CG2' ' HA ' ' A' ' 39' ' ' LYS . 9.0 tp -36.07 -30.81 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.149 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.472 ' N ' ' O ' ' A' ' 41' ' ' CYS . 15.9 m -76.42 -63.65 1.28 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.421 ' HD2' ' C ' ' A' ' 44' ' ' ARG . 0.5 OUTLIER -39.25 -28.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.449 ' N ' ' O ' ' A' ' 43' ' ' THR . 4.3 t-105 -96.82 -37.45 10.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.526 ' O ' ' CG ' ' A' ' 46' ' ' TRP . 21.4 t90 -90.85 37.63 0.93 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.938 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -49.68 -62.51 1.52 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -86.37 152.74 22.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.5 mp -96.73 80.39 3.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -119.84 -59.0 1.84 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -174.17 150.8 1.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.829 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -114.25 42.37 2.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.478 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 6.5 m-85 -69.57 -60.35 3.98 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.628 0.728 . . . . 0.0 110.857 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.478 ' HD2' ' N ' ' A' ' 53' ' ' PHE . 53.5 Cg_endo -69.74 126.85 13.81 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.668 2.245 . . . . 0.0 112.407 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 36.2 t -110.19 137.35 20.55 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.609 0.718 . . . . 0.0 110.94 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -36.27 11.07 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.689 2.26 . . . . 0.0 112.344 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.543 HG11 ' CE1' ' A' ' 35' ' ' HIS . 91.0 t -71.51 -58.39 5.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.103 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 97.1 m . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.826 -179.943 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.6 p -144.64 167.93 21.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.879 0.371 . . . . 0.0 110.852 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.2 t -130.75 101.01 5.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.847 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.61 106.65 0.25 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.485 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.6 p -84.73 -44.13 13.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.881 0.372 . . . . 0.0 110.845 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.8 m -151.28 110.43 3.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.847 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.05 113.87 1.12 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.479 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.15 -43.21 92.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.835 0.35 . . . . 0.0 111.131 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.9 tt -55.49 100.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -121.23 -48.11 2.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -71.59 142.16 50.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.0 pp -112.76 172.09 7.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.5 mm100 -131.31 145.21 51.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.6 m -53.06 138.73 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -111.43 152.31 27.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.819 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -104.52 143.14 33.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.119 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.4 t -159.69 153.1 22.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.852 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.5 t -56.8 167.21 0.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.2 m -102.4 -27.45 12.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.814 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 74.6 t -87.19 -65.84 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.106 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.0 p -80.34 -20.72 43.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.5 mt 59.53 54.26 4.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -107.21 146.76 31.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.859 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -80.53 115.58 20.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.89 174.34 6.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.943 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.462 ' N ' ' HD3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -97.83 -40.7 8.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 179.867 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -133.84 82.37 49.98 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.631 0.729 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 147.31 62.44 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.684 2.256 . . . . 0.0 112.296 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.5 t -79.61 84.97 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 56.6 mt -74.07 99.75 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 42.7 pt -67.1 177.11 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.142 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -51.15 -46.8 62.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -52.52 -59.04 4.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 139.92 -29.82 2.41 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 23.3 m170 -57.44 141.48 47.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.807 0.337 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -79.86 148.67 31.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -154.54 135.37 13.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 16.5 p -93.43 152.83 18.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.463 ' HA ' ' CG2' ' A' ' 42' ' ' ILE . 8.9 ttmt -46.72 -42.37 16.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.467 ' O ' ' CG2' ' A' ' 43' ' ' THR . . . -58.47 -30.93 67.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.078 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 56.8 m -95.03 -64.39 1.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.463 ' CG2' ' HA ' ' A' ' 39' ' ' LYS . 4.7 tp -44.43 -26.45 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.467 ' CG2' ' O ' ' A' ' 40' ' ' ALA . 3.3 t -57.33 -45.01 84.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.142 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 26.0 ttm180 -45.87 -52.8 10.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 7.7 t-105 -74.95 -47.02 31.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.437 ' O ' ' CG ' ' A' ' 46' ' ' TRP . 23.4 t90 -80.55 42.85 0.63 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.916 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -71.96 -58.67 3.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -125.25 43.86 2.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.1 mt 51.99 50.83 17.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.957 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -77.47 47.85 0.61 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -57.24 -177.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 70.65 42.82 0.8 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -147.05 142.31 16.87 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.664 0.745 . . . . 0.0 110.871 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 163.47 38.1 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.713 2.275 . . . . 0.0 112.326 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 39.5 t -53.04 137.01 47.57 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.614 0.721 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -47.96 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.648 2.232 . . . . 0.0 112.337 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.405 ' O ' ' C ' ' A' ' 58' ' ' CYS . 85.1 t -57.47 -66.95 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 57' ' ' VAL . 72.9 m . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.6 m -122.24 156.76 33.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.883 0.373 . . . . 0.0 110.806 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -134.64 145.03 48.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.866 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.01 -165.68 26.52 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.521 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.0 t 51.88 41.87 29.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.857 0.361 . . . . 0.0 110.891 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.8 t -130.03 144.8 51.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.835 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.03 150.05 5.14 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.5 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -169.63 105.84 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.799 0.333 . . . . 0.0 111.096 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.8 mt -136.44 144.49 44.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 42.29 41.02 1.98 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 42.9 p-10 -62.44 115.37 4.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -41.51 107.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -41.81 154.53 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.93 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.0 m -53.58 132.18 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -104.89 158.63 16.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.03 147.75 36.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.5 p -173.59 156.98 3.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.6 t -60.05 166.91 2.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 71.8 m -103.37 -34.48 8.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 97.5 t -79.54 -70.05 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.158 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 32.1 p -77.06 -18.86 57.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.5 mt 56.83 53.28 8.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.402 ' HG2' ' N ' ' A' ' 24' ' ' TYR . 42.0 tt0 -101.67 162.1 13.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.402 ' N ' ' HG2' ' A' ' 23' ' ' GLU . 37.8 t80 -90.49 111.83 23.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.916 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 mp -119.86 152.35 37.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.927 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -76.7 -43.71 36.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -131.89 80.95 64.08 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.621 0.724 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 139.63 40.45 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.65 2.233 . . . . 0.0 112.301 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.4 t -69.43 96.46 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.175 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 80.7 mt -101.44 104.54 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 40.0 pt -73.99 -175.44 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -83.43 37.18 0.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 1.1 p -116.28 -40.36 3.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.424 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . 115.86 38.04 1.0 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.556 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.567 ' CE1' HG13 ' A' ' 57' ' ' VAL . 32.2 m170 -146.49 158.11 43.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.789 0.328 . . . . 0.0 110.87 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -108.38 148.63 29.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -155.57 144.58 20.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.8 p -99.51 155.48 17.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.494 ' O ' ' CG2' ' A' ' 43' ' ' THR . 0.4 OUTLIER -48.7 -45.63 39.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.909 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.408 ' O ' ' CG2' ' A' ' 43' ' ' THR . . . -55.42 -32.8 63.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.06 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.462 ' O ' ' N ' ' A' ' 43' ' ' THR . 61.8 m -94.72 -67.71 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.464 ' CG2' ' HA ' ' A' ' 39' ' ' LYS . 8.3 tp -40.26 -24.99 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.494 ' CG2' ' O ' ' A' ' 39' ' ' LYS . 5.3 t -66.95 -49.28 65.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.135 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -53.46 -37.59 62.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.554 ' CD1' ' HB2' ' A' ' 54' ' ' PRO . 9.4 t-105 -80.12 -47.51 14.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.441 ' O ' ' C ' ' A' ' 47' ' ' GLU . 2.0 t90 -36.82 -40.88 0.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 46' ' ' TRP . 10.8 tt0 -34.34 -44.26 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -60.31 83.69 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.77 -24.6 65.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -51.35 -45.77 62.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -96.1 150.1 20.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.29 -61.82 1.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -116.32 65.43 3.01 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.636 0.731 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.554 ' HB2' ' CD1' ' A' ' 45' ' ' TRP . 53.5 Cg_endo -69.79 152.19 69.11 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.68 2.253 . . . . 0.0 112.322 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 49.0 t -144.86 125.66 7.53 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.645 0.735 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -45.53 1.57 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.694 2.263 . . . . 0.0 112.367 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.567 HG13 ' CE1' ' A' ' 35' ' ' HIS . 57.3 t -58.27 -56.27 17.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.181 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 16.8 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.99 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.5 t -174.36 132.34 0.38 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.868 0.366 . . . . 0.0 110.88 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -155.64 155.2 32.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.57 -176.64 17.89 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.47 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.4 t -171.69 136.09 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.858 0.361 . . . . 0.0 110.894 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.0 m -145.73 149.25 34.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.82 -139.62 4.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.458 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 9' ' ' LEU . . . -93.78 -62.26 1.39 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.844 0.354 . . . . 0.0 111.095 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 8' ' ' ALA . 19.3 mt 35.94 41.89 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -53.07 95.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -123.77 84.13 2.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 32.3 tp -69.95 98.49 1.28 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -140.59 116.52 10.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.458 HG12 ' N ' ' A' ' 15' ' ' GLU . 91.0 t -95.19 137.99 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.458 ' N ' HG12 ' A' ' 14' ' ' VAL . 26.1 mm-40 -126.65 133.37 51.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.408 ' CB ' ' HG3' ' A' ' 28' ' ' PRO . . . -63.56 176.79 0.79 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.114 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.5 t -175.03 153.0 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.4 t -64.59 169.08 5.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.4 m -103.55 -40.57 6.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.837 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 86.5 t -71.16 -68.77 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.115 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.4 p -77.3 -28.8 53.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 16.6 mt 66.98 51.41 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -106.69 150.91 25.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -83.36 117.28 22.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.936 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 mp -118.17 170.42 8.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.49 ' HG2' ' N ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -97.33 -35.18 10.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.843 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.49 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 15.8 mm-40 -134.97 77.04 57.39 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.621 0.725 . . . . 0.0 110.929 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.408 ' HG3' ' CB ' ' A' ' 16' ' ' ALA . 54.0 Cg_endo -69.7 142.58 48.56 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.696 2.264 . . . . 0.0 112.345 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 81.4 t -74.63 95.29 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 30.5 mt -94.86 95.89 5.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.409 ' CD1' ' SG ' ' A' ' 33' ' ' CYS . 38.5 pt -71.88 176.59 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.122 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -48.31 -43.54 33.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.919 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.409 ' SG ' ' CD1' ' A' ' 31' ' ' ILE . 0.8 OUTLIER -59.02 -34.21 71.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 35' ' ' HIS . . . 113.58 -49.62 0.83 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.556 ' CE1' HG12 ' A' ' 57' ' ' VAL . 44.9 m170 -33.54 146.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.321 . . . . 0.0 110.863 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -102.96 150.97 23.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -155.64 131.9 10.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.477 ' O ' ' C ' ' A' ' 39' ' ' LYS . 29.6 p -80.58 144.78 32.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.477 ' C ' ' O ' ' A' ' 38' ' ' CYS . 3.4 mtmp? -32.02 -41.28 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . -60.5 -66.22 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.094 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 42' ' ' ILE . 92.5 m -58.56 -65.32 0.67 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.471 ' CG2' ' HA ' ' A' ' 39' ' ' LYS . 5.6 tp -36.12 -37.87 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.085 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.0 m -66.66 -49.79 65.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.17 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 41' ' ' CYS . 22.7 ttt180 -43.71 -41.59 4.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.525 ' CD1' ' HD3' ' A' ' 56' ' ' PRO . 12.9 t-105 -89.49 -60.14 2.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.466 ' CD1' ' O ' ' A' ' 46' ' ' TRP . 2.1 t90 -36.33 -40.55 0.24 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 46' ' ' TRP . 15.4 mt-10 -34.11 -45.27 0.2 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.833 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 49' ' ' LEU . 1.1 m-20 -79.34 120.36 23.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 48' ' ' ASP . 61.1 mt -36.29 138.96 0.18 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 51' ' ' ARG . 35.4 mm-40 -81.64 43.59 0.76 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.487 ' HG2' ' N ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -38.15 -38.23 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.906 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.487 ' N ' ' HG2' ' A' ' 51' ' ' ARG . 0.6 OUTLIER -134.99 40.59 2.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.473 ' C ' ' O ' ' A' ' 52' ' ' ASP . 5.6 t80 32.41 54.79 1.06 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.624 0.726 . . . . 0.0 110.891 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.433 ' CD ' ' N ' ' A' ' 53' ' ' PHE . 54.0 Cg_endo -69.74 165.1 32.08 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.69 2.26 . . . . 0.0 112.335 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 44.3 t -138.44 134.64 17.6 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.604 0.716 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.525 ' HD3' ' CD1' ' A' ' 45' ' ' TRP . 53.6 Cg_endo -69.77 -4.65 14.46 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.7 2.266 . . . . 0.0 112.308 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.556 HG12 ' CE1' ' A' ' 35' ' ' HIS . 24.3 t -115.81 -72.66 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 57' ' ' VAL . 79.3 m . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.8 m -104.22 132.84 50.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.877 0.37 . . . . 0.0 110.864 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.9 t -135.43 144.04 46.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.15 -166.57 17.63 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.53 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t -116.29 160.47 20.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.899 0.38 . . . . 0.0 110.902 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.9 p -139.36 131.14 27.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.96 171.87 54.37 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.51 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -125.3 38.37 4.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.855 0.36 . . . . 0.0 111.117 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.3 tp -86.54 116.58 24.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.445 ' HG3' ' N ' ' A' ' 11' ' ' ASN . 16.2 pt-20 -109.72 -47.73 3.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.89 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.445 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 70.8 m-20 60.9 44.17 10.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.861 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.7 mp -112.6 41.73 1.98 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -43.52 157.87 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.5 p -112.25 158.73 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -127.21 170.12 12.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.53 120.27 24.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.08 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.7 m -155.13 152.49 29.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.6 t -50.96 166.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 81.1 p -104.0 -36.62 7.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 98.7 t -73.46 -72.85 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.145 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.2 p -76.05 -19.21 58.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.3 mt 58.51 52.26 7.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -102.12 163.03 12.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -94.93 117.26 29.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.414 HD23 ' CB ' ' A' ' 38' ' ' CYS . 0.3 OUTLIER -123.46 152.22 41.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.919 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.9 mttm -78.68 -44.34 23.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -132.41 77.36 70.35 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.6 0.714 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 176.96 6.1 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.672 2.248 . . . . 0.0 112.328 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.4 t -103.27 111.68 33.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.2 mp -112.06 105.79 19.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.097 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 44.6 pt -80.98 -176.46 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.118 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -60.61 -46.19 91.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.487 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 0.9 OUTLIER -39.49 -44.15 1.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.863 -179.888 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.487 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . 104.42 52.5 0.87 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.505 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.434 ' CD2' ' O ' ' A' ' 34' ' ' GLY . 43.9 m170 -141.97 165.34 27.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.0 110.832 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -105.07 142.07 35.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -152.45 138.14 17.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.414 ' CB ' HD23 ' A' ' 25' ' ' LEU . 17.1 p -92.82 160.61 14.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.467 ' HA ' ' CG2' ' A' ' 42' ' ' ILE . 38.5 mmtm -57.81 -29.42 64.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.42 -31.02 69.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.079 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 43' ' ' THR . 69.5 m -95.04 -65.92 0.95 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.467 ' CG2' ' HA ' ' A' ' 39' ' ' LYS . 6.7 tp -36.24 -31.45 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.135 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.466 ' N ' ' O ' ' A' ' 41' ' ' CYS . 8.8 t -64.59 -48.44 74.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 41' ' ' CYS . 56.6 ttm-85 -45.89 -50.99 13.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.836 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 6.3 t-105 -77.44 -40.07 44.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.471 ' O ' ' CG ' ' A' ' 46' ' ' TRP . 25.6 t90 -89.17 46.31 1.37 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.447 ' O ' ' CG ' ' A' ' 48' ' ' ASP . 19.7 tt0 -62.8 77.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.871 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.447 ' CG ' ' O ' ' A' ' 47' ' ' GLU . 1.9 p30 46.54 49.83 13.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.475 HD12 ' CE1' ' A' ' 53' ' ' PHE . 96.4 mt -113.5 108.67 17.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.18 -41.75 84.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.01 160.71 7.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -103.53 107.46 18.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.475 ' CE1' HD12 ' A' ' 49' ' ' LEU . 34.9 m-85 -88.06 153.04 51.51 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.678 0.751 . . . . 0.0 110.859 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 126.88 13.85 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.694 2.263 . . . . 0.0 112.382 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 8.9 t -45.46 139.47 4.57 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.614 0.721 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -50.81 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.673 2.249 . . . . 0.0 112.341 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.4 t -51.65 -51.98 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.058 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 93.8 m . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.97 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.0 p -145.16 146.54 31.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.909 0.385 . . . . 0.0 110.823 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.0 t -94.35 -45.19 7.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.86 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.03 82.32 1.51 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.504 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.4 p -100.67 41.44 1.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.861 0.363 . . . . 0.0 110.865 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.0 p -59.85 171.6 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.811 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.69 68.43 0.6 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.487 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.23 79.14 9.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.812 0.339 . . . . 0.0 111.103 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.8 tp -102.51 105.21 15.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -115.62 120.56 39.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -172.67 107.25 0.18 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.8 tp -112.85 82.34 1.64 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -94.15 133.3 37.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.425 HG23 ' N ' ' A' ' 15' ' ' GLU . 12.2 p -121.98 144.65 30.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.425 ' N ' HG23 ' A' ' 14' ' ' VAL . 2.9 pm0 -108.15 138.71 43.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.45 151.79 5.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.094 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 75.6 p -174.27 156.97 2.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.6 t -58.48 167.25 1.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 79.8 p -102.84 -39.53 6.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.2 t -73.12 -71.72 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.102 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.7 p -74.68 -25.83 59.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.8 mt 65.09 54.77 1.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -105.44 150.92 24.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -83.59 117.48 23.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.962 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.3 mp -125.26 159.98 30.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.916 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.3 ttmm -81.75 -46.4 14.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -130.27 82.54 65.43 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.652 0.739 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 143.61 51.25 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.657 2.238 . . . . 0.0 112.365 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 99.7 t -78.44 95.76 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 54.5 mt -96.24 105.97 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 47.5 pt -71.91 -176.7 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -82.46 39.35 0.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.448 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 1.0 OUTLIER -117.74 -41.53 2.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.475 ' O ' ' CD2' ' A' ' 35' ' ' HIS . . . 117.83 41.83 0.64 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.519 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.546 ' CE1' HG12 ' A' ' 57' ' ' VAL . 29.1 m170 -149.7 179.12 8.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.839 0.352 . . . . 0.0 110.835 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -123.75 150.31 44.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.918 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -153.65 144.4 22.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 40' ' ' ALA . 27.1 p -95.55 146.83 24.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.461 ' HA ' ' CG2' ' A' ' 42' ' ' ILE . 0.9 OUTLIER -35.66 -30.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . -70.31 -55.83 8.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.102 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.473 ' O ' ' N ' ' A' ' 43' ' ' THR . 92.9 m -67.03 -63.29 1.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.926 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.461 ' CG2' ' HA ' ' A' ' 39' ' ' LYS . 3.9 tp -36.04 -31.61 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 41' ' ' CYS . 25.0 m -63.73 -55.42 23.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.169 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 43' ' ' THR . 24.0 ttt180 -37.72 -46.04 0.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 5.3 t-105 -83.23 -40.03 20.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.469 ' O ' ' C ' ' A' ' 47' ' ' GLU . 2.2 t90 -40.59 -42.03 1.6 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.469 ' C ' ' O ' ' A' ' 46' ' ' TRP . 14.1 tp10 -32.67 -38.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 46' ' ' TRP . 7.8 t0 -88.65 124.01 33.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.4 mt -40.2 161.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -79.18 44.84 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 52' ' ' ASP . 68.9 mtp180 -116.11 124.14 49.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 51' ' ' ARG . 8.0 t0 35.26 45.82 0.22 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.596 ' O ' ' CD2' ' A' ' 53' ' ' PHE . 30.1 p90 -95.48 106.89 29.55 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.64 0.734 . . . . 0.0 110.929 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 53' ' ' PHE . 53.7 Cg_endo -69.75 -169.36 0.32 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.666 2.244 . . . . 0.0 112.379 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 45.2 t -117.44 132.28 23.63 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.609 0.719 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 1.86 4.11 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.671 2.247 . . . . 0.0 112.309 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.546 HG12 ' CE1' ' A' ' 35' ' ' HIS . 43.1 t -116.96 -67.16 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.142 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.437 ' C ' ' O ' ' A' ' 57' ' ' VAL . 95.1 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -142.27 166.62 24.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 110.863 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 t -160.51 158.79 29.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.77 -73.2 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.498 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.6 m -120.41 123.35 42.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.818 0.342 . . . . 0.0 110.864 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -115.77 155.47 27.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.89 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.99 68.48 0.48 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.3 148.31 27.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.865 0.364 . . . . 0.0 111.076 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.4 mt -87.37 134.31 33.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.952 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -95.38 82.15 3.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -168.22 131.78 1.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.1 mp -93.18 42.89 1.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 55.38 46.1 24.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.953 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.4 t -88.67 33.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 16' ' ' ALA . 24.2 tp10 -85.91 158.54 19.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.46 ' N ' ' HG3' ' A' ' 15' ' ' GLU . . . -38.61 146.16 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 85.1 p -165.44 152.23 10.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.833 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.6 t -53.73 160.46 1.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.4 m -101.5 -3.85 27.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.7 t -113.18 -55.31 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.159 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.477 ' O ' ' N ' ' A' ' 23' ' ' GLU . 24.6 p -102.63 15.58 28.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 21' ' ' CYS . 3.0 mm? 34.01 34.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 21' ' ' CYS . 36.5 tt0 -73.4 148.99 42.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -89.37 122.33 32.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.35 159.5 41.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.0 tppt? -87.93 -46.02 9.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.4 tp10 -126.39 84.15 62.73 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.69 0.757 . . . . 0.0 110.932 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 155.82 64.97 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.679 2.253 . . . . 0.0 112.356 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.0 t -80.96 102.78 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.134 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.529 ' CD1' ' ND2' ' A' ' 36' ' ' ASN . 36.5 mm -94.33 116.44 35.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.185 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.4 pt -95.2 -175.29 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.177 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -51.38 -42.79 61.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.24 -35.08 79.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.86 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 35' ' ' HIS . . . 112.1 -50.23 0.79 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.472 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.554 ' CE1' HG13 ' A' ' 57' ' ' VAL . 47.6 m170 -34.65 142.56 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.819 0.342 . . . . 0.0 110.858 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.694 HD21 ' N ' ' A' ' 36' ' ' ASN . 0.7 OUTLIER -89.17 154.72 19.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -155.09 139.99 17.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.5 p -91.45 151.73 20.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.472 ' HA ' ' CG2' ' A' ' 42' ' ' ILE . 6.3 mtmp? -48.79 -37.85 20.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.58 -31.19 71.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.086 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 42' ' ' ILE . 56.4 m -94.78 -68.72 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.472 ' CG2' ' HA ' ' A' ' 39' ' ' LYS . 6.0 tp -37.4 -39.92 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.088 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.9 t -46.97 -47.94 21.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 -58.02 -43.22 86.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.471 ' CD1' ' HB2' ' A' ' 53' ' ' PHE . 9.6 t-105 -90.36 22.95 3.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.44 ' O ' ' C ' ' A' ' 47' ' ' GLU . 1.7 t90 -110.93 -45.19 3.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 46' ' ' TRP . 11.8 tt0 -35.47 -36.66 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -90.61 56.86 3.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.475 ' CD2' ' O ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -81.48 11.07 4.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.899 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -79.25 -57.88 3.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.428 ' HD2' ' N ' ' A' ' 51' ' ' ARG . 2.6 mpt_? -106.44 153.76 21.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -49.24 100.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.471 ' HB2' ' CD1' ' A' ' 45' ' ' TRP . 19.7 p90 -72.4 113.02 17.17 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.665 0.745 . . . . 0.0 110.875 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 114.75 3.81 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.698 2.265 . . . . 0.0 112.353 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 36.9 t -39.41 135.07 1.17 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.674 0.75 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 -42.0 3.7 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.655 2.237 . . . . 0.0 112.301 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.554 HG13 ' CE1' ' A' ' 35' ' ' HIS . 45.8 t -62.47 -66.9 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.109 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.445 ' C ' ' O ' ' A' ' 57' ' ' VAL . 85.8 m . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 m -161.61 157.34 24.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.835 0.35 . . . . 0.0 110.851 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -162.17 147.92 13.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.852 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.29 130.7 2.22 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.48 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.8 p -141.61 125.88 17.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.927 0.394 . . . . 0.0 110.842 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.2 m -147.23 128.38 14.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.829 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.85 140.69 6.61 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.488 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -155.39 142.75 19.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.795 0.331 . . . . 0.0 111.113 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.3 mp -79.0 142.74 36.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.95 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -85.85 -25.02 26.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.926 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -150.57 137.36 19.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.452 ' O ' ' CD1' ' A' ' 12' ' ' LEU . 3.8 pp -83.43 44.28 0.95 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.914 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -118.45 140.08 50.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.8 t -110.09 141.33 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 16' ' ' ALA . 6.6 mm-40 -76.01 137.45 40.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 15' ' ' GLU . . . -34.54 144.22 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.091 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.1 m -165.04 158.71 17.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.6 t -56.57 167.09 0.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 73.3 m -103.34 -27.99 12.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.433 ' O ' ' CD2' ' A' ' 22' ' ' LEU . 79.1 t -88.34 -64.47 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.153 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 22' ' ' LEU . 29.9 p -86.58 1.22 52.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.433 ' CD2' ' O ' ' A' ' 20' ' ' VAL . 0.2 OUTLIER 34.38 51.6 0.46 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -100.2 148.67 24.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -81.93 123.54 28.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.924 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.407 ' CD2' ' HB3' ' A' ' 38' ' ' CYS . 0.2 OUTLIER -129.55 161.35 30.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.1 mmtp -96.45 -36.62 10.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -129.69 72.76 81.89 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.648 0.737 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -172.96 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.694 2.263 . . . . 0.0 112.345 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.8 t -127.25 101.17 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.2 mp -95.51 85.42 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.178 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 39.7 pt -51.74 -174.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -80.72 40.28 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -128.4 -31.46 2.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 117.46 -51.73 0.72 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -51.25 169.42 0.05 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.778 0.323 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -111.01 151.84 27.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -153.86 138.76 17.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 39' ' ' LYS . 31.8 p -95.45 147.05 23.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 38' ' ' CYS . 3.3 tptt -33.33 -42.7 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.08 -67.87 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 81.2 m -57.3 -65.26 0.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.426 ' CG2' ' HA ' ' A' ' 39' ' ' LYS . 9.4 tp -39.1 -32.28 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.186 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 45' ' ' TRP . 3.1 m -76.51 -61.61 1.9 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.138 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -40.71 -25.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.453 ' N ' ' O ' ' A' ' 43' ' ' THR . 4.9 t-105 -101.29 -34.16 9.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.934 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.54 ' O ' ' CG ' ' A' ' 46' ' ' TRP . 19.8 t90 -93.03 31.82 1.37 Allowed 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -76.35 -62.64 1.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -74.15 107.18 6.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.45 ' N ' HD21 ' A' ' 49' ' ' LEU . 3.7 mm? -59.73 -54.94 40.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 51' ' ' ARG . 2.5 tp10 -39.09 -62.09 0.68 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 51' ' ' ARG . 9.5 ttp-105 -36.05 144.71 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.851 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -130.63 34.29 4.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.576 ' CD1' ' HD2' ' A' ' 54' ' ' PRO . 2.6 t80 -78.41 134.35 62.47 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.708 0.766 . . . . 0.0 110.847 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.576 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 54.0 Cg_endo -69.76 177.84 5.17 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.671 2.247 . . . . 0.0 112.404 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 41.4 t -45.45 134.87 5.84 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.629 0.728 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 -27.61 25.87 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.657 2.238 . . . . 0.0 112.294 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.8 t -79.7 -63.39 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.1 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 87.3 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.95 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.4 p -151.71 159.32 44.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.886 0.374 . . . . 0.0 110.86 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.8 p -134.07 144.84 48.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.788 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.27 147.2 16.46 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.515 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -139.61 169.83 17.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.846 0.355 . . . . 0.0 110.888 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -47.3 103.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.91 -148.07 51.28 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.44 166.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.821 0.343 . . . . 0.0 111.099 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.6 mp -125.23 165.58 18.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.945 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -116.71 91.12 3.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -149.15 142.78 25.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.5 mt -144.43 146.04 32.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.929 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -124.64 42.9 3.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.458 HG11 ' N ' ' A' ' 15' ' ' GLU . 66.9 t -44.8 137.71 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.458 ' N ' HG11 ' A' ' 14' ' ' VAL . 16.5 pt-20 -131.02 152.4 50.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.429 ' CB ' ' HG3' ' A' ' 28' ' ' PRO . . . -119.65 31.04 6.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.097 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.6 m -63.2 154.73 30.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.0 t -53.52 166.4 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.1 p -100.23 -32.81 10.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.7 t -81.88 -74.31 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.153 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.6 p -71.48 -14.14 62.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 39.9 mt 53.49 52.96 12.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -109.1 149.26 29.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -83.21 124.86 30.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.968 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -129.78 160.62 32.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.7 mttm -84.02 -42.31 16.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -130.47 81.1 68.87 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.627 0.727 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.429 ' HG3' ' CB ' ' A' ' 16' ' ' ALA . 53.2 Cg_endo -69.78 145.65 57.69 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.656 2.237 . . . . 0.0 112.312 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.9 t -79.28 92.8 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 25.9 mt -82.33 105.94 12.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 30.5 pt -69.83 -174.78 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -81.38 40.71 0.58 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.9 t -133.89 -48.72 0.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 133.41 -28.91 3.23 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.461 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 23.7 m80 -62.78 166.42 5.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.793 0.33 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -103.02 142.31 34.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -149.53 134.49 17.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.825 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 17.1 p -97.81 156.89 16.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.7 ptpp? -52.58 -37.04 57.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.31 -30.21 70.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.093 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 42' ' ' ILE . 56.9 m -93.47 -72.47 0.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 41' ' ' CYS . 8.7 tp -36.17 -35.41 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 99.6 m -73.21 -64.03 1.06 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -49.74 -31.47 11.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 7.8 t-105 -88.2 22.91 2.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.531 ' CD1' HD22 ' A' ' 49' ' ' LEU . 1.8 t90 -114.94 -41.14 3.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.936 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 46' ' ' TRP . 20.9 tp10 -34.3 -43.66 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -83.77 83.93 7.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.531 HD22 ' CD1' ' A' ' 46' ' ' TRP . 18.7 mt -81.92 40.07 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -104.13 -49.33 3.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -53.06 -58.58 6.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 61.84 45.51 7.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -99.53 148.93 35.37 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.679 0.752 . . . . 0.0 110.876 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -20.81 34.42 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.702 2.268 . . . . 0.0 112.327 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.471 ' SG ' ' CG2' ' A' ' 57' ' ' VAL . 13.2 t -169.17 119.17 0.6 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.62 0.724 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -52.71 0.31 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.673 2.249 . . . . 0.0 112.297 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.471 ' CG2' ' SG ' ' A' ' 55' ' ' CYS . 4.2 m -49.56 -36.28 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.164 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 6.5 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.6 p -98.13 -54.6 3.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.839 0.352 . . . . 0.0 110.844 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.1 p -155.82 148.28 23.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.13 110.6 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.6 p -132.99 112.99 12.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.853 0.358 . . . . 0.0 110.857 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.2 m -139.06 165.27 27.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.88 91.94 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.527 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -135.37 108.26 7.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.844 0.354 . . . . 0.0 111.069 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.9 mt -97.54 117.27 31.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -102.93 104.71 14.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -112.38 124.61 52.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.9 mp -125.64 105.32 8.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -72.53 141.35 48.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.5 t -102.19 32.58 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -119.68 168.6 10.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -103.56 178.87 4.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.091 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 86.7 p -173.07 147.4 1.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.5 t -48.4 167.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.4 m -107.14 -39.82 5.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.0 t -70.48 -65.29 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.12 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 32.0 p -82.19 -19.81 39.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 76.3 mt 58.8 50.16 9.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.417 ' HG2' ' N ' ' A' ' 24' ' ' TYR . 20.9 tt0 -101.01 149.12 24.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.417 ' N ' ' HG2' ' A' ' 23' ' ' GLU . 68.3 t80 -82.7 124.1 29.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.91 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.0 144.46 50.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.952 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -70.27 -46.63 63.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -130.57 75.64 78.63 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.625 0.726 . . . . 0.0 110.857 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 163.39 38.44 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.663 2.242 . . . . 0.0 112.396 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.5 t -73.68 92.25 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.463 HG12 ' ND2' ' A' ' 36' ' ' ASN . 63.2 mt -93.58 80.09 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.2 pt -61.91 -177.47 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -81.99 39.1 0.55 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -123.33 -37.02 2.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 125.47 -53.78 0.77 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.533 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.477 ' CE1' HG12 ' A' ' 57' ' ' VAL . 39.1 m80 -57.71 174.77 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.823 0.344 . . . . 0.0 110.853 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.509 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 9.3 m120 -127.02 153.38 46.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.509 ' CD1' ' O ' ' A' ' 36' ' ' ASN . 50.0 m-85 -154.06 145.42 23.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 27.7 p -94.22 149.98 20.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm -46.16 -20.5 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -80.65 -37.65 30.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.117 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 89.6 m -95.87 -61.04 1.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.428 ' CG1' ' HB2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -42.13 -32.15 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 10.1 t -61.71 -44.08 97.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.172 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 47.0 ttt180 -48.86 -59.23 3.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.442 ' CG ' ' HD3' ' A' ' 56' ' ' PRO . 15.8 t-105 -62.03 -30.43 70.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.458 ' O ' ' C ' ' A' ' 47' ' ' GLU . 2.5 t90 -66.28 -47.42 73.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.946 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -33.64 119.13 0.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 50' ' ' GLU . 13.2 t70 63.87 52.49 2.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -43.19 95.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 48' ' ' ASP . 8.7 pt-20 -125.51 44.07 2.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.3 mtp180 -164.67 148.01 8.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.828 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.89 -45.83 56.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -107.82 79.21 0.83 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.645 0.736 . . . . 0.0 110.863 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 92.78 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.69 2.26 . . . . 0.0 112.341 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 40.6 t -161.05 110.31 1.27 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.692 0.758 . . . . 0.0 110.868 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.442 ' HD3' ' CG ' ' A' ' 45' ' ' TRP . 53.6 Cg_endo -69.8 -2.71 10.66 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.67 2.247 . . . . 0.0 112.356 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.477 HG12 ' CE1' ' A' ' 35' ' ' HIS . 45.4 t -101.4 -40.41 7.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.125 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 10.4 m . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.994 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -156.52 117.55 3.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.874 0.369 . . . . 0.0 110.896 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.6 p -130.13 141.08 50.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.822 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.3 52.29 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.466 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -57.64 97.72 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.843 0.354 . . . . 0.0 110.862 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 m -96.83 93.6 6.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.0 74.78 0.18 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.457 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -115.71 -60.55 1.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.798 0.332 . . . . 0.0 111.074 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.4 mp -99.42 96.78 7.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -133.21 176.71 8.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -123.18 102.61 8.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.919 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -106.89 40.26 1.69 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.948 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -76.75 169.8 17.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.941 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.5 t -107.0 128.59 61.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.13 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -145.87 114.73 6.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.449 ' CB ' ' HG3' ' A' ' 28' ' ' PRO . . . -52.39 151.72 3.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.6 p -169.68 144.17 2.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.846 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.2 t -42.74 165.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.84 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.0 m -102.54 -6.33 22.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.832 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 92.0 t -112.27 -58.06 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.451 ' O ' ' C ' ' A' ' 22' ' ' LEU . 28.4 p -99.6 12.82 35.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.451 ' C ' ' O ' ' A' ' 21' ' ' CYS . 3.3 mm? 34.03 41.08 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.925 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -75.7 158.26 32.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -93.61 118.96 32.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.03 136.9 42.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.947 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.427 ' HG2' ' N ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -68.26 -34.86 76.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 179.779 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.427 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 5.5 pt-20 -131.62 81.34 64.31 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.648 0.737 . . . . 0.0 110.909 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.449 ' HG3' ' CB ' ' A' ' 16' ' ' ALA . 53.5 Cg_endo -69.71 142.21 47.52 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.717 2.278 . . . . 0.0 112.356 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.5 t -67.93 91.34 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.122 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 40.5 mt -91.15 81.35 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.13 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 33.0 pt -56.69 -175.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.48 36.35 0.53 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.478 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 1.2 p -119.33 -43.39 2.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.478 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . 113.06 45.92 0.73 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.508 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.554 ' CE1' HG12 ' A' ' 57' ' ' VAL . 26.3 m170 -146.92 176.97 9.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.793 0.33 . . . . 0.0 110.843 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -118.19 141.62 48.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -155.14 136.67 14.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.8 p -93.56 151.68 19.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.469 ' HA ' ' CG2' ' A' ' 42' ' ' ILE . 2.7 mptp? -43.98 -45.96 8.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.92 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.83 -36.87 67.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 60.9 m -89.02 -69.94 0.68 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.469 ' CG2' ' HA ' ' A' ' 39' ' ' LYS . 8.0 tp -36.86 -35.69 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.092 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 100.0 m -72.65 -49.35 32.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.14 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.51 ' NE ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -51.07 -23.44 3.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 4.7 t-105 -108.83 -19.9 13.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.53 ' O ' ' CG ' ' A' ' 46' ' ' TRP . 19.9 t90 -105.59 40.1 1.62 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -63.43 -64.11 1.0 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.402 ' C ' ' N ' ' A' ' 50' ' ' GLU . 2.3 m-20 -109.52 137.73 46.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.503 ' CD2' ' C ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -45.94 -20.43 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.928 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.488 ' CB ' HD21 ' A' ' 49' ' ' LEU . 7.0 tt0 -128.44 69.82 1.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -110.67 -53.19 2.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 53' ' ' PHE . 5.1 m-20 -171.49 179.62 2.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.824 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.444 ' C ' ' O ' ' A' ' 52' ' ' ASP . 18.8 m-85 -35.01 152.51 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.598 0.714 . . . . 0.0 110.89 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -6.91 19.73 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.717 2.278 . . . . 0.0 112.372 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 53.9 t -160.62 123.11 1.81 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.634 0.73 . . . . 0.0 110.859 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -42.34 3.49 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.654 2.236 . . . . 0.0 112.378 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.554 HG12 ' CE1' ' A' ' 35' ' ' HIS . 91.6 t -59.05 -41.84 84.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 13.1 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.7 m -104.41 114.52 28.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.872 0.368 . . . . 0.0 110.811 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -69.38 -54.89 12.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.15 -146.39 36.23 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.48 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.7 t -165.23 129.64 2.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.88 0.372 . . . . 0.0 110.862 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 t -108.05 42.1 1.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.69 41.0 3.98 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.471 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.95 83.74 2.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.785 0.326 . . . . 0.0 111.081 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 tp -141.5 125.29 16.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -59.9 131.98 52.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -115.11 123.26 48.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 66.2 tp -110.86 82.1 1.54 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -150.41 139.5 21.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.432 HG23 ' N ' ' A' ' 15' ' ' GLU . 11.5 p -110.66 144.04 19.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.432 ' N ' HG23 ' A' ' 14' ' ' VAL . 1.6 pm0 -148.05 137.74 22.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.48 150.51 44.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.073 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 99.7 p -174.27 154.42 2.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.6 t -62.89 165.9 6.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.9 p -102.38 -34.85 9.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.7 t -77.59 -73.03 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.123 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.5 p -72.58 -16.86 61.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 64.8 mt 56.79 53.06 8.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -108.07 156.25 19.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -89.68 121.86 32.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.3 mp -127.09 138.51 53.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.5 ptmt -63.05 -42.13 99.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -134.76 82.21 44.86 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.683 0.754 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 156.66 62.61 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.69 2.26 . . . . 0.0 112.319 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 66.0 t -80.68 121.89 34.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.3 mp -113.82 100.31 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 39.3 pt -76.65 179.13 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.11 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -46.34 -46.33 18.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -60.98 -35.99 78.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.479 ' O ' ' C ' ' A' ' 35' ' ' HIS . . . 113.04 -48.25 0.96 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.455 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.533 ' CE1' HG11 ' A' ' 57' ' ' VAL . 66.4 m170 -32.1 135.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.823 0.344 . . . . 0.0 110.83 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.5 m120 -80.2 151.3 29.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -155.85 142.57 18.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 19.3 p -99.3 152.6 19.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.938 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.439 ' HA ' ' CG2' ' A' ' 42' ' ' ILE . 38.5 mmtt -46.4 -35.84 5.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.413 ' O ' ' CG2' ' A' ' 43' ' ' THR . . . -64.38 -37.14 86.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 43' ' ' THR . 86.4 m -95.47 -64.38 1.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.439 ' CG2' ' HA ' ' A' ' 39' ' ' LYS . 5.4 tp -38.64 -26.29 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.138 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.492 ' N ' ' O ' ' A' ' 41' ' ' CYS . 4.7 t -66.04 -46.14 78.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.203 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 41' ' ' CYS . 38.0 ttt180 -49.26 -57.36 6.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.556 ' CD1' ' HD3' ' A' ' 56' ' ' PRO . 9.7 t-105 -73.74 -49.06 27.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 5.0 t90 -78.62 45.42 0.58 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.946 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -72.81 -34.27 66.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -158.55 105.5 1.85 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.566 ' CD1' ' C ' ' A' ' 49' ' ' LEU . 0.2 OUTLIER -103.68 123.37 46.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.492 ' N ' ' CD1' ' A' ' 49' ' ' LEU . 7.3 mm-40 -126.53 -59.33 1.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 80.7 mtm-85 -132.36 -45.76 0.91 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -92.29 113.41 25.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -115.9 62.71 2.13 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.642 0.734 . . . . 0.0 110.911 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 173.84 10.44 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.628 2.219 . . . . 0.0 112.318 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 30.6 t -122.54 137.73 28.24 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.644 0.735 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.556 ' HD3' ' CD1' ' A' ' 45' ' ' TRP . 53.2 Cg_endo -69.8 -46.41 1.22 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.666 2.244 . . . . 0.0 112.335 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.533 HG11 ' CE1' ' A' ' 35' ' ' HIS . 59.3 t -60.95 -45.17 98.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.207 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 75.9 m . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.858 179.993 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -87.59 -51.81 5.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.895 0.378 . . . . 0.0 110.846 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.1 p -62.82 142.04 58.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -42.55 -91.65 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.469 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.3 p -132.78 96.8 3.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.852 0.358 . . . . 0.0 110.854 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.4 t -104.66 93.35 4.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.85 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.1 134.28 3.14 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.502 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.58 -66.14 0.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.848 0.356 . . . . 0.0 111.054 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.4 mt -139.79 115.11 9.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -75.95 108.67 8.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 49.8 p30 -166.28 166.55 16.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 pp -155.39 -179.78 8.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -139.83 155.8 47.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.9 t -138.32 155.07 28.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.165 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -125.82 159.55 32.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.12 136.86 6.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.7 m -157.51 148.46 21.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.2 t -47.65 166.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.0 m -104.51 -34.98 8.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 64.9 t -77.0 -70.79 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.124 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.3 p -76.17 -16.03 59.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.7 mt 55.72 49.04 17.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -98.01 159.8 14.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -95.01 121.23 36.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.962 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.46 160.86 31.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.461 ' HD2' ' N ' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -84.31 -44.11 14.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.839 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -131.23 78.42 72.52 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.643 0.735 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -177.82 2.06 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.678 2.252 . . . . 0.0 112.375 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 43.1 t -108.7 119.62 58.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.9 mp -109.22 138.37 36.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 42.3 pt -113.33 175.8 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -43.2 -45.78 5.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 9.9 t -60.35 -50.03 75.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 128.53 -40.92 1.64 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.467 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 28.8 m170 -39.69 142.83 0.28 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.839 0.352 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -89.88 150.54 22.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -153.26 137.48 16.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 18.1 p -91.58 150.74 21.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.8 tppt? -52.09 -20.35 2.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.48 -31.21 47.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.08 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 59.7 m -95.11 -58.24 2.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.411 ' O ' ' CB ' ' A' ' 46' ' ' TRP . 10.6 tp -48.12 -25.36 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.41 ' N ' HG23 ' A' ' 42' ' ' ILE . 6.4 t -64.89 -39.25 93.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.164 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 30.0 ttt85 -57.82 -37.13 73.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 8.2 t-105 -100.01 -10.35 21.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.421 ' O ' ' CG ' ' A' ' 46' ' ' TRP . 22.8 t90 -107.85 42.05 1.42 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.919 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -86.38 -40.08 15.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.854 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 49' ' ' LEU . 1.9 m-20 -90.09 -176.24 4.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.514 ' N ' HD21 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -48.02 177.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.957 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -117.18 54.35 0.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.433 ' NH1' ' HB3' ' A' ' 51' ' ' ARG . 5.2 mmm180 -54.49 -38.43 66.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.406 ' C ' ' HD3' ' A' ' 54' ' ' PRO . 1.4 p-10 -157.95 -178.87 7.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -112.54 65.57 0.83 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.689 0.756 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.406 ' HD3' ' C ' ' A' ' 52' ' ' ASP . 53.9 Cg_endo -69.76 98.29 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.662 2.242 . . . . 0.0 112.334 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 11.7 t -56.69 112.11 4.12 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.64 0.733 . . . . 0.0 110.829 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -50.81 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.672 2.248 . . . . 0.0 112.403 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.431 HG13 ' N ' ' A' ' 58' ' ' CYS . 7.4 p -51.88 -42.12 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.141 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.431 ' N ' HG13 ' A' ' 57' ' ' VAL . 1.8 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.9 p -82.7 48.7 1.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.913 0.387 . . . . 0.0 110.813 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.2 t 64.26 43.59 4.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 43.01 -153.07 0.23 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.486 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.5 p -81.19 176.71 9.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.878 0.371 . . . . 0.0 110.888 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.1 t -145.68 155.92 43.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.53 149.2 28.9 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.517 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -125.95 -57.87 1.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.759 0.314 . . . . 0.0 111.098 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 73.0 mt -78.83 -60.24 2.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -58.51 171.37 0.62 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -95.29 -59.64 1.84 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.919 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.0 mt -144.52 133.63 22.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.923 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 pm0 -96.09 138.9 33.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.3 p -91.83 148.68 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.147 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -147.67 126.01 12.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.25 152.43 17.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.085 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.9 p -170.95 155.55 4.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.1 t -52.29 167.77 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 80.8 p -106.03 -12.66 15.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.1 t -104.25 -48.04 9.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.12 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 22' ' ' LEU . 21.8 p -109.54 12.33 24.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 21' ' ' CYS . 3.3 mm? 33.98 40.38 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -74.17 150.99 40.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -89.65 102.91 15.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.94 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.412 HD21 ' CB ' ' A' ' 38' ' ' CYS . 0.5 OUTLIER -118.19 155.24 30.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.2 mttm -81.0 -43.88 18.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -133.82 80.22 55.98 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.667 0.746 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 147.6 63.54 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.675 2.25 . . . . 0.0 112.379 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.4 t -70.2 91.14 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.117 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.401 ' O ' ' O ' ' A' ' 31' ' ' ILE . 37.9 mt -88.02 83.7 2.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.152 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.401 ' O ' ' O ' ' A' ' 30' ' ' ILE . 43.4 pt -50.69 -176.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.119 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.67 41.57 0.49 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -128.15 -33.0 2.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.849 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.74 -52.57 0.74 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.483 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.465 ' CE1' HG13 ' A' ' 57' ' ' VAL . 34.5 m80 -53.23 179.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.795 0.331 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.424 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 2.4 m-80 -123.57 158.65 30.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.424 ' CD1' ' C ' ' A' ' 36' ' ' ASN . 83.7 m-85 -155.76 145.84 21.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.832 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.412 ' CB ' HD21 ' A' ' 25' ' ' LEU . 15.8 p -99.95 150.8 22.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 42.8 mmtt -45.84 -35.93 4.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.18 -32.82 74.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 42' ' ' ILE . 53.6 m -90.42 -70.03 0.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.47 HG22 ' N ' ' A' ' 43' ' ' THR . 6.7 tp -36.37 -42.26 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.124 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.474 HG21 ' N ' ' A' ' 44' ' ' ARG . 9.7 t -51.33 -45.64 62.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.09 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.474 ' N ' HG21 ' A' ' 43' ' ' THR . 29.2 ttp180 -48.79 -56.42 8.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 5.9 t-105 -67.87 -53.14 28.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.486 ' O ' ' C ' ' A' ' 47' ' ' GLU . 2.4 t90 -41.56 -47.77 3.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.936 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 46' ' ' TRP . 1.2 tm-20 -29.38 -46.92 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.87 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -81.5 113.02 19.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.3 mp -75.71 48.61 0.47 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -83.43 -44.93 14.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.852 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.7 mmm180 50.12 24.97 1.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -97.64 -45.47 6.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -75.97 130.33 78.61 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.681 0.753 . . . . 0.0 110.875 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -41.49 4.24 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.714 2.276 . . . . 0.0 112.326 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 43.3 t -175.05 136.85 0.55 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.603 0.716 . . . . 0.0 110.845 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -31.11 20.83 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.29 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.465 HG13 ' CE1' ' A' ' 35' ' ' HIS . 63.6 t -77.98 -50.09 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.123 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 72.2 m . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.98 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.0 m -128.29 154.28 46.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.873 0.368 . . . . 0.0 110.842 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 t -77.98 -45.62 23.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.849 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.93 178.01 41.21 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.496 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.0 t -158.86 128.77 5.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.904 0.383 . . . . 0.0 110.87 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.3 m -126.87 -45.39 1.59 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.66 -66.27 0.49 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.451 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -115.22 114.92 25.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.812 0.339 . . . . 0.0 111.149 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.42 110.14 4.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -84.79 114.7 22.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -127.45 157.13 40.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.0 mp -121.47 108.07 13.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -101.16 41.37 1.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.5 t 64.53 36.49 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.102 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -74.46 146.16 43.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.28 128.93 35.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.112 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.7 m -148.1 139.66 23.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.7 t -45.49 167.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 94.3 p -102.45 -41.41 6.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.4 t -70.25 -69.87 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.137 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.1 p -74.31 -19.09 60.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 76.7 mt 59.33 50.72 7.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -113.5 148.67 35.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.84 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -86.51 121.62 29.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.437 HD22 ' CB ' ' A' ' 38' ' ' CYS . 0.2 OUTLIER -125.23 171.14 10.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.918 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.63 101.97 13.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.438 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 16.3 tp10 75.02 54.93 0.24 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.572 0.701 . . . . 0.0 110.919 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.438 ' CD ' ' N ' ' A' ' 27' ' ' GLU . 53.7 Cg_endo -69.75 159.91 51.67 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.71 2.274 . . . . 0.0 112.349 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.1 t -61.62 117.71 3.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.191 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 44.3 mt -119.3 80.83 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 31.1 pt -63.39 161.84 2.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.127 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -42.34 -47.98 4.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 31.0 t -41.71 -44.69 3.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 118.48 -33.18 4.93 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.415 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 33.5 m170 -58.61 151.39 20.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.81 0.338 . . . . 0.0 110.863 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -98.45 149.41 22.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.419 ' CZ ' ' HB2' ' A' ' 35' ' ' HIS . 19.0 m-85 -153.15 138.44 17.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.437 ' CB ' HD22 ' A' ' 25' ' ' LEU . 14.3 p -101.35 148.46 25.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.921 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.465 ' HA ' ' CG2' ' A' ' 42' ' ' ILE . 36.8 mmtm -44.99 -40.13 6.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.4 ' O ' ' CG2' ' A' ' 43' ' ' THR . . . -59.47 -35.4 74.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 42' ' ' ILE . 67.1 m -93.26 -69.15 0.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.465 ' CG2' ' HA ' ' A' ' 39' ' ' LYS . 4.4 tp -36.02 -39.78 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.174 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.4 ' CG2' ' O ' ' A' ' 39' ' ' LYS . 3.5 t -44.8 -49.08 10.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.08 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.403 ' HB2' ' NH1' ' A' ' 44' ' ' ARG . 0.1 OUTLIER -54.02 -47.79 71.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.541 ' CD1' ' HD3' ' A' ' 56' ' ' PRO . 9.1 t-105 -85.49 25.12 1.08 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.936 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.489 ' CD1' HD22 ' A' ' 49' ' ' LEU . 2.2 t90 -126.06 -46.57 1.66 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.959 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 46' ' ' TRP . 11.2 tt0 -33.5 -45.69 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.6 p-10 -86.47 86.11 7.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.489 HD22 ' CD1' ' A' ' 46' ' ' TRP . 15.1 mt -70.41 92.08 0.79 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -122.15 -62.83 1.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 86.6 mtt-85 -86.85 177.24 7.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.48 -55.53 3.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.831 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.563 ' O ' ' CD2' ' A' ' 53' ' ' PHE . 24.6 p90 -123.71 66.71 38.02 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.667 0.746 . . . . 0.0 110.869 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.501 ' HB2' ' CD1' ' A' ' 45' ' ' TRP . 54.1 Cg_endo -69.73 148.86 66.19 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.64 2.227 . . . . 0.0 112.37 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 11.6 t -139.21 109.49 7.56 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.625 0.726 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.541 ' HD3' ' CD1' ' A' ' 45' ' ' TRP . 53.6 Cg_endo -69.78 -51.06 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.686 2.257 . . . . 0.0 112.348 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.5 p -50.45 -39.11 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.97 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.2 m -64.99 126.43 28.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.914 0.388 . . . . 0.0 110.811 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.3 p -106.65 139.08 41.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.89 -117.11 0.78 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.478 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.6 t -155.08 147.85 24.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.899 0.38 . . . . 0.0 110.894 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.5 m -152.76 155.07 36.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.91 137.79 8.69 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.48 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -131.92 83.88 2.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 0.0 111.135 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.1 tp -109.82 97.33 6.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -128.06 100.6 5.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 54.2 m-20 -60.7 138.26 58.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -92.1 33.86 1.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -100.53 136.81 39.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.941 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 85.2 t -113.37 136.48 49.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -112.96 147.04 37.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.445 ' CB ' ' HG3' ' A' ' 28' ' ' PRO . . . -67.45 172.4 5.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.118 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 82.7 p -167.02 158.31 12.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.837 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.9 t -61.74 168.79 2.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.3 m -105.28 -40.92 5.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.9 t -70.46 -67.84 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.139 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.4 p -79.74 -25.67 41.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.3 mt 66.21 54.65 0.94 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 24' ' ' TYR . 15.9 tp10 -104.6 152.87 21.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.457 ' N ' ' HG3' ' A' ' 23' ' ' GLU . 20.3 m-85 -85.1 121.11 27.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.93 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.4 mp -129.71 142.8 50.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -68.83 -41.44 78.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -134.78 79.36 52.63 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.665 0.745 . . . . 0.0 110.862 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.445 ' HG3' ' CB ' ' A' ' 16' ' ' ALA . 53.9 Cg_endo -69.78 151.46 68.95 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.711 2.274 . . . . 0.0 112.343 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.4 t -66.35 85.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.087 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 24.5 mt -88.68 82.51 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 44.9 pt -66.33 -176.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -81.38 39.82 0.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -125.18 -35.82 2.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.3 -51.63 0.78 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.5 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.56 ' CE1' HG12 ' A' ' 57' ' ' VAL . 35.1 m80 -59.53 167.26 2.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.594 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 12.8 m120 -118.05 152.46 35.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.594 ' CD1' ' O ' ' A' ' 36' ' ' ASN . 38.2 m-85 -153.49 139.81 18.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 41' ' ' CYS . 31.3 p -92.17 152.58 19.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.3 mmmm -42.5 -28.92 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.968 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -76.56 -36.54 57.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.073 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.463 ' N ' ' O ' ' A' ' 38' ' ' CYS . 84.8 m -93.67 -65.82 0.96 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.536 ' CG2' ' N ' ' A' ' 43' ' ' THR . 0.1 OUTLIER -36.98 -45.52 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.148 179.913 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.536 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 77.3 m -59.92 -50.25 74.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.125 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -40.49 -39.48 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.517 ' CD1' ' HD3' ' A' ' 56' ' ' PRO . 6.9 t-105 -88.35 -47.4 8.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.521 ' O ' ' CG ' ' A' ' 46' ' ' TRP . 24.4 t90 -82.89 38.0 0.56 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.65 -51.87 5.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.93 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -80.14 139.57 36.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -49.97 114.26 1.05 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.414 ' CB ' ' HG3' ' A' ' 54' ' ' PRO . 5.3 mm-40 -127.17 -57.51 1.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 26.8 mtt-85 60.27 25.06 14.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 53' ' ' PHE . 7.0 t0 -127.74 41.1 3.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.448 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 86.2 m-85 35.51 53.8 1.98 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.677 0.751 . . . . 0.0 110.911 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.448 ' CD ' ' N ' ' A' ' 53' ' ' PHE . 53.7 Cg_endo -69.82 126.51 13.36 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.693 2.262 . . . . 0.0 112.331 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 45.6 t -125.65 130.55 24.03 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.593 0.711 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.517 ' HD3' ' CD1' ' A' ' 45' ' ' TRP . 54.1 Cg_endo -69.7 -37.91 8.65 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.671 2.248 . . . . 0.0 112.358 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.56 HG12 ' CE1' ' A' ' 35' ' ' HIS . 45.5 t -71.78 -69.99 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.454 ' C ' ' O ' ' A' ' 57' ' ' VAL . 34.0 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.6 m -69.51 86.81 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.873 0.368 . . . . 0.0 110.851 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 t -117.41 138.64 51.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.4 148.73 18.75 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.462 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.3 p -108.91 -54.61 2.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.854 0.359 . . . . 0.0 110.851 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.5 m -66.61 87.83 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.841 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.74 -162.19 21.48 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.544 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -106.06 111.69 24.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.84 0.353 . . . . 0.0 111.114 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.5 -57.29 12.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -115.42 132.32 56.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -57.61 -56.34 23.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.2 mt -129.21 129.25 44.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -127.55 100.2 5.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.949 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.434 HG12 ' N ' ' A' ' 15' ' ' GLU . 99.0 t -133.36 135.01 56.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.434 ' N ' HG12 ' A' ' 14' ' ' VAL . 34.1 mt-10 -138.93 173.49 11.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.3 159.67 33.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.092 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 91.5 p -174.7 152.43 1.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.4 t -54.64 167.42 0.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 t -102.59 -37.45 7.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 80.4 t -75.48 -71.76 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.12 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.5 p -75.53 -26.93 58.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.4 mt 67.47 53.09 0.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -98.23 158.09 15.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -88.73 117.21 27.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 mp -129.27 140.83 51.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.96 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.8 tptm -66.65 -41.43 88.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -134.21 89.2 28.73 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.65 0.738 . . . . 0.0 110.85 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 147.4 63.15 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.682 2.255 . . . . 0.0 112.367 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.2 t -75.98 87.81 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.138 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.1 mt -74.76 105.66 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 40.0 pt -78.87 175.16 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.154 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -46.96 -47.13 21.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -56.42 -49.5 74.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 131.35 -40.93 1.57 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.479 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.541 ' CE1' HG12 ' A' ' 57' ' ' VAL . 22.9 m170 -45.23 163.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.845 0.355 . . . . 0.0 110.835 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -102.31 152.42 21.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -155.78 130.86 9.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.476 ' O ' ' C ' ' A' ' 39' ' ' LYS . 30.3 p -87.39 146.4 25.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.476 ' C ' ' O ' ' A' ' 38' ' ' CYS . 1.4 mptp? -32.27 -42.93 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.83 -59.08 6.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 42' ' ' ILE . 86.7 m -65.76 -67.35 0.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.467 ' CG2' ' HA ' ' A' ' 39' ' ' LYS . 4.2 tp -36.1 -34.2 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.129 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.417 ' N ' ' O ' ' A' ' 41' ' ' CYS . 8.4 m -69.54 -50.92 40.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.149 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 41' ' ' CYS . 7.7 tpt180 -42.57 -40.78 2.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 10.1 t-105 -88.45 -36.09 16.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.93 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.516 ' O ' ' CG ' ' A' ' 46' ' ' TRP . 26.0 t90 -94.87 44.95 1.1 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.419 ' C ' ' OD1' ' A' ' 48' ' ' ASP . 9.3 pt-20 -64.24 -30.68 71.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.937 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.419 ' OD1' ' C ' ' A' ' 47' ' ' GLU . 0.7 OUTLIER -139.72 160.5 39.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.1 mp -84.36 39.0 0.7 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.963 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -128.14 40.71 3.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -40.76 143.1 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -132.95 -45.12 0.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.514 ' CG ' ' HD2' ' A' ' 54' ' ' PRO . 3.3 t80 -104.05 140.91 21.52 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.671 0.748 . . . . 0.0 110.914 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.514 ' HD2' ' CG ' ' A' ' 53' ' ' PHE . 53.5 Cg_endo -69.78 -178.88 2.56 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.666 2.244 . . . . 0.0 112.348 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.433 ' C ' ' O ' ' A' ' 54' ' ' PRO . 11.1 t -33.48 122.05 0.46 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.603 0.716 . . . . 0.0 110.891 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -51.55 0.38 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.682 2.254 . . . . 0.0 112.374 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.541 HG12 ' CE1' ' A' ' 35' ' ' HIS . 9.8 p -51.38 -28.72 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.482 ' N ' HG11 ' A' ' 57' ' ' VAL . 5.8 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -109.61 170.65 7.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.853 0.358 . . . . 0.0 110.846 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -113.1 172.8 6.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.845 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.27 -122.35 1.83 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.522 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.4 t -159.73 160.3 33.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.9 0.381 . . . . 0.0 110.848 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.2 t -115.56 114.88 25.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.861 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.69 69.0 0.24 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.481 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -148.92 113.0 5.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.781 0.324 . . . . 0.0 111.139 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 10' ' ' GLU . 5.3 mp -82.52 41.83 0.73 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 9' ' ' LEU . 4.8 pt-20 -36.69 133.57 0.55 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -129.87 86.61 2.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.434 ' N ' HD12 ' A' ' 12' ' ' LEU . 5.6 mp -97.93 87.43 3.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.965 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -126.43 94.02 3.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.3 t -111.46 33.47 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.162 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -116.8 152.75 33.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -114.29 120.92 42.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.089 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.53 ' HB3' ' CD1' ' A' ' 24' ' ' TYR . 37.1 p -121.66 148.66 44.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.3 t -46.47 136.02 7.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.7 t -88.37 24.2 1.98 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.6 t -132.28 -63.42 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.3 p -86.08 -9.76 56.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 52.2 mt 62.3 53.89 2.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -123.58 140.99 52.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.53 ' CD1' ' HB3' ' A' ' 17' ' ' SER . 78.2 m-85 -85.95 121.96 29.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -129.0 162.49 27.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.919 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.33 113.64 25.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.435 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 8.9 mt-10 64.58 55.02 1.39 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.653 0.74 . . . . 0.0 110.925 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.435 ' CD ' ' N ' ' A' ' 27' ' ' GLU . 53.8 Cg_endo -69.75 156.29 63.76 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.639 2.226 . . . . 0.0 112.36 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 50.3 t -63.98 134.39 28.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.13 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.453 HD12 ' ND2' ' A' ' 36' ' ' ASN . 40.8 mm -135.52 108.34 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.412 ' O ' ' N ' ' A' ' 34' ' ' GLY . 44.6 pt -82.52 163.72 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -37.51 -42.93 0.56 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 28.3 t -53.91 -46.55 71.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 31' ' ' ILE . . . 119.99 -38.28 2.82 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.521 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -47.58 130.13 13.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.798 0.332 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.458 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 1.1 m120 -73.22 154.52 40.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.458 ' CD1' ' O ' ' A' ' 36' ' ' ASN . 66.6 m-85 -155.72 135.47 12.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.6 p -99.28 155.68 17.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.467 ' HA ' ' CG2' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -47.1 -39.26 12.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 179.918 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.66 -30.32 71.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.082 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 43' ' ' THR . 56.8 m -95.32 -66.31 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.467 ' CG2' ' HA ' ' A' ' 39' ' ' LYS . 6.0 tp -36.96 -31.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 41' ' ' CYS . 98.7 m -74.93 -49.98 18.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.135 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.3 tpm_? -44.62 -36.57 3.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 8.8 t-105 -92.4 -41.52 10.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.545 ' O ' ' CG ' ' A' ' 46' ' ' TRP . 23.9 t90 -85.57 38.16 0.73 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -62.19 -56.35 19.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.842 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.19 175.02 10.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.3 mp -47.44 175.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -87.68 45.82 1.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -77.16 -44.01 31.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.427 ' CG ' ' HD3' ' A' ' 54' ' ' PRO . 17.6 t70 -155.96 113.77 3.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -118.9 72.96 11.82 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.663 0.744 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.427 ' HD3' ' CG ' ' A' ' 52' ' ' ASP . 53.9 Cg_endo -69.78 110.01 2.45 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.636 2.224 . . . . 0.0 112.357 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 44.3 t -38.3 114.76 0.81 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.614 0.721 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -50.9 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.676 2.251 . . . . 0.0 112.338 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 57.9 t -49.7 -40.72 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.119 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 2.5 m . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.977 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.542 ' HB3' ' HG3' ' A' ' 28' ' ' PRO . . . . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.838 0.351 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 84.9 p -161.25 152.01 18.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.6 t -50.58 167.09 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.2 m -106.18 -37.18 6.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.5 t -71.52 -69.84 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.103 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.0 p -80.74 -15.46 56.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 23.9 mt 55.96 51.04 12.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -101.66 150.25 23.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.908 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -83.17 120.52 25.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.582 HD21 ' CB ' ' A' ' 38' ' ' CYS . 0.7 OUTLIER -123.86 164.28 19.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.956 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -89.48 -39.17 13.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -134.58 81.5 47.86 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.676 0.75 . . . . 0.0 110.871 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.542 ' HG3' ' HB3' ' A' ' 16' ' ' ALA . 54.3 Cg_endo -69.7 140.95 44.15 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.708 2.272 . . . . 0.0 112.354 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.7 t -74.86 102.37 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 27.6 mm -88.98 89.23 3.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.143 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 24.9 pt -61.6 176.9 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 33' ' ' CYS . 15.9 pt-20 -47.49 -46.86 27.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.421 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 0.8 OUTLIER -54.44 -54.29 42.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.925 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 130.16 -36.38 2.33 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.457 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -46.69 153.18 0.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.779 0.323 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -88.43 140.79 29.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -147.02 132.14 18.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.696 ' O ' HG22 ' A' ' 42' ' ' ILE . 16.4 p -90.26 156.41 18.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.14 -44.35 21.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.48 -33.59 71.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 43' ' ' THR . 57.0 m -92.48 -69.71 0.73 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.696 HG22 ' O ' ' A' ' 38' ' ' CYS . 8.0 tp -37.1 -29.48 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.114 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.471 ' N ' ' O ' ' A' ' 41' ' ' CYS . 17.5 m -74.39 -48.19 29.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.13 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 41' ' ' CYS . 12.6 tpt180 -45.27 -38.09 5.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 10.5 t-105 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.976 179.971 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.777 0.322 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.2 t -145.75 150.96 37.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.4 t -49.23 163.43 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.0 m -98.73 -18.38 18.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 77.3 t -98.1 -67.67 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.155 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.9 p -79.79 -4.01 50.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 16.3 mt 42.63 53.87 4.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.405 ' O ' HD12 ' A' ' 25' ' ' LEU . 3.8 tt0 -108.06 143.52 36.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -78.86 120.27 23.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.488 HD21 ' HB3' ' A' ' 38' ' ' CYS . 0.9 OUTLIER -121.13 177.5 5.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.949 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.4 tttt -97.78 -45.08 6.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -131.93 82.74 58.86 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.619 0.723 . . . . 0.0 110.855 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 156.49 63.05 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.7 2.267 . . . . 0.0 112.342 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.3 t -86.39 92.12 3.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 81.8 mt -82.48 107.71 14.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 20.1 pt -82.24 -176.49 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.427 ' H ' ' CD ' ' A' ' 32' ' ' GLU . 17.8 mp0 -52.77 -45.55 67.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -54.61 -58.27 8.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 136.89 -35.87 2.04 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.49 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.5 m170 -48.99 158.15 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.85 0.357 . . . . 0.0 110.855 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -96.73 147.92 23.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -151.92 133.72 14.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.655 ' O ' HG22 ' A' ' 42' ' ' ILE . 17.8 p -93.69 155.91 16.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.573 ' O ' HG22 ' A' ' 43' ' ' THR . 8.0 tppt? -49.78 -40.56 41.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.939 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.503 ' C ' HG22 ' A' ' 43' ' ' THR . . . -59.73 -34.6 73.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 63.5 m -92.58 -67.29 0.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.655 HG22 ' O ' ' A' ' 38' ' ' CYS . 4.8 tp -39.46 -36.0 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.573 HG22 ' O ' ' A' ' 39' ' ' LYS . 1.9 t -48.12 -50.24 29.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.448 ' N ' HG23 ' A' ' 43' ' ' THR . 72.9 ttt-85 -50.59 -43.32 56.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 10.7 t-105 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.597 ' HB1' ' HG3' ' A' ' 28' ' ' PRO . . . . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.807 0.337 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.2 p -159.53 149.55 18.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.6 t -45.67 167.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.847 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.5 m -105.76 -32.97 8.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 83.5 t -77.06 -67.21 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.11 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.8 p -82.24 -18.68 41.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.3 mt 58.44 52.6 6.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.945 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.426 ' O ' HD12 ' A' ' 25' ' ' LEU . 13.7 tt0 -104.27 148.37 26.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -80.38 127.49 32.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.911 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.461 HD21 ' HB3' ' A' ' 38' ' ' CYS . 1.1 mp -131.43 162.6 29.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.896 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -85.58 -40.1 16.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -133.13 86.56 41.84 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.668 0.747 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.597 ' HG3' ' HB1' ' A' ' 16' ' ' ALA . 53.8 Cg_endo -69.72 136.0 31.99 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.679 2.252 . . . . 0.0 112.331 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.2 t -75.08 91.37 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.159 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.581 HD11 ' CG ' ' A' ' 36' ' ' ASN . 46.2 mm -88.43 113.69 25.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.591 HD11 ' SG ' ' A' ' 33' ' ' CYS . 41.0 pt -84.83 -178.54 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -54.54 -46.71 73.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.591 ' SG ' HD11 ' A' ' 31' ' ' ILE . 1.0 OUTLIER -48.71 -39.46 24.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.403 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . 101.4 46.54 1.67 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.477 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 48.7 m170 -133.26 151.23 51.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.812 0.339 . . . . 0.0 110.84 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.581 ' CG ' HD11 ' A' ' 30' ' ' ILE . 2.1 m-80 -87.97 146.21 25.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -155.92 130.27 8.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.695 ' SG ' ' HB3' ' A' ' 40' ' ' ALA . 19.2 p -88.93 140.58 29.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.48 ' HA ' ' CG2' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -37.52 -27.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.886 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.695 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . . . -66.88 -49.57 65.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.068 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.472 ' O ' ' N ' ' A' ' 43' ' ' THR . 76.9 m -80.32 -66.09 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.48 ' CG2' ' HA ' ' A' ' 39' ' ' LYS . 9.0 tp -36.07 -30.81 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.149 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.472 ' N ' ' O ' ' A' ' 41' ' ' CYS . 15.9 m -76.42 -63.65 1.28 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.411 ' HD2' ' C ' ' A' ' 44' ' ' ARG . 0.5 OUTLIER -39.25 -28.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.449 ' N ' ' O ' ' A' ' 43' ' ' THR . 4.3 t-105 . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.461 ' HB1' ' HG3' ' A' ' 28' ' ' PRO . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.814 0.34 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.4 t -159.69 153.1 22.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.852 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.5 t -56.8 167.21 0.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.2 m -102.4 -27.45 12.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.814 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 74.6 t -87.19 -65.84 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.106 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.0 p -80.34 -20.72 43.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.5 mt 59.53 54.26 4.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.444 ' O ' HD12 ' A' ' 25' ' ' LEU . 25.8 mm-40 -107.21 146.76 31.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.859 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -80.53 115.58 20.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.444 HD12 ' O ' ' A' ' 23' ' ' GLU . 0.6 OUTLIER -119.89 174.34 6.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.943 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.46 ' HD3' ' N ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -97.83 -40.7 8.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 179.867 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -133.84 82.37 49.98 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.631 0.729 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.461 ' HG3' ' HB1' ' A' ' 16' ' ' ALA . 53.7 Cg_endo -69.78 147.31 62.44 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.684 2.256 . . . . 0.0 112.296 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.5 t -79.61 84.97 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 56.6 mt -74.07 99.75 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 42.7 pt -67.1 177.11 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.142 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -51.15 -46.8 62.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -52.52 -59.04 4.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 139.92 -29.82 2.41 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 23.3 m170 -57.44 141.48 47.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.807 0.337 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -79.86 148.67 31.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -154.54 135.37 13.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.429 ' HB3' HD21 ' A' ' 25' ' ' LEU . 16.5 p -93.43 152.83 18.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.57 ' HA ' HG22 ' A' ' 42' ' ' ILE . 8.9 ttmt -46.72 -42.37 16.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.528 ' C ' HG22 ' A' ' 43' ' ' THR . . . -58.47 -30.93 67.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.078 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 56.8 m -95.03 -64.39 1.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.57 HG22 ' HA ' ' A' ' 39' ' ' LYS . 4.7 tp -44.43 -26.45 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.528 HG22 ' C ' ' A' ' 40' ' ' ALA . 3.3 t -57.33 -45.01 84.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.142 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.405 ' N ' HG23 ' A' ' 43' ' ' THR . 26.0 ttm180 -45.87 -52.8 10.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.861 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 7.7 t-105 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.829 ' HB1' ' HG3' ' A' ' 28' ' ' PRO . . . . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.814 0.34 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.5 p -173.59 156.98 3.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.6 t -60.05 166.91 2.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 71.8 m -103.37 -34.48 8.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 97.5 t -79.54 -70.05 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.158 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 32.1 p -77.06 -18.86 57.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.5 mt 56.83 53.28 8.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.414 ' HG2' ' N ' ' A' ' 24' ' ' TYR . 42.0 tt0 -101.67 162.1 13.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.414 ' N ' ' HG2' ' A' ' 23' ' ' GLU . 37.8 t80 -90.49 111.83 23.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.916 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.667 HD21 ' HB3' ' A' ' 38' ' ' CYS . 1.1 mp -119.86 152.35 37.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.927 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -76.7 -43.71 36.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -131.89 80.95 64.08 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.621 0.724 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.829 ' HG3' ' HB1' ' A' ' 16' ' ' ALA . 53.3 Cg_endo -69.83 139.63 40.45 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.65 2.233 . . . . 0.0 112.301 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.4 t -69.43 96.46 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.175 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.46 HD11 ' OD1' ' A' ' 36' ' ' ASN . 80.7 mt -101.44 104.54 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 40.0 pt -73.99 -175.44 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -83.43 37.18 0.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 1.1 p -116.28 -40.36 3.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.424 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . 115.86 38.04 1.0 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.556 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.405 ' CD2' ' O ' ' A' ' 34' ' ' GLY . 32.2 m170 -146.49 158.11 43.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.789 0.328 . . . . 0.0 110.87 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.46 ' OD1' HD11 ' A' ' 30' ' ' ILE . 2.5 m-80 -108.38 148.63 29.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -155.57 144.58 20.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.667 ' HB3' HD21 ' A' ' 25' ' ' LEU . 14.8 p -99.51 155.48 17.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.589 ' O ' HG22 ' A' ' 43' ' ' THR . 0.4 OUTLIER -48.7 -45.63 39.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.909 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.516 ' C ' HG22 ' A' ' 43' ' ' THR . . . -55.42 -32.8 63.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.06 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.462 ' O ' ' N ' ' A' ' 43' ' ' THR . 61.8 m -94.72 -67.71 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.554 HG22 ' O ' ' A' ' 38' ' ' CYS . 8.3 tp -40.26 -24.99 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.589 HG22 ' O ' ' A' ' 39' ' ' LYS . 5.3 t -66.95 -49.28 65.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.135 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.504 ' N ' HG23 ' A' ' 43' ' ' THR . 5.0 ptm180 -53.46 -37.59 62.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 9.4 t-105 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.927 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.426 ' CB ' ' HG3' ' A' ' 28' ' ' PRO . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.808 0.337 . . . . 0.0 111.114 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.5 t -175.03 153.0 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.4 t -64.59 169.08 5.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.4 m -103.55 -40.57 6.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.837 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 86.5 t -71.16 -68.77 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.115 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.4 p -77.3 -28.8 53.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 16.6 mt 66.98 51.41 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.424 ' O ' HD12 ' A' ' 25' ' ' LEU . 41.7 mt-10 -106.69 150.91 25.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -83.36 117.28 22.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.936 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.781 HD21 ' HB3' ' A' ' 38' ' ' CYS . 1.6 mp -118.17 170.42 8.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.877 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.485 ' HG2' ' N ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -97.33 -35.18 10.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.843 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.485 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 15.8 mm-40 -134.97 77.04 57.39 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.621 0.725 . . . . 0.0 110.929 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.426 ' HG3' ' CB ' ' A' ' 16' ' ' ALA . 54.0 Cg_endo -69.7 142.58 48.56 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.696 2.264 . . . . 0.0 112.345 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 81.4 t -74.63 95.29 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.581 HG23 ' O ' ' A' ' 34' ' ' GLY . 30.5 mt -94.86 95.89 5.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.658 HD11 ' SG ' ' A' ' 33' ' ' CYS . 38.5 pt -71.88 176.59 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.122 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -48.31 -43.54 33.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.919 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.658 ' SG ' HD11 ' A' ' 31' ' ' ILE . 0.8 OUTLIER -59.02 -34.21 71.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.581 ' O ' HG23 ' A' ' 30' ' ' ILE . . . 113.58 -49.62 0.83 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.452 ' C ' ' O ' ' A' ' 34' ' ' GLY . 44.9 m170 -33.54 146.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.321 . . . . 0.0 110.863 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -102.96 150.97 23.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -155.64 131.9 10.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.781 ' HB3' HD21 ' A' ' 25' ' ' LEU . 29.6 p -80.58 144.78 32.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.479 ' HA ' ' CG2' ' A' ' 42' ' ' ILE . 3.4 mtmp? -32.02 -41.28 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . -60.5 -66.22 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.094 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 42' ' ' ILE . 92.5 m -58.56 -65.32 0.67 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.737 HG22 ' O ' ' A' ' 38' ' ' CYS . 5.6 tp -36.12 -37.87 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.085 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.0 m -66.66 -49.79 65.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.17 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 41' ' ' CYS . 22.7 ttt180 -43.71 -41.59 4.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 12.9 t-105 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 -179.939 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.815 0.34 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.7 m -155.13 152.49 29.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.6 t -50.96 166.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 81.1 p -104.0 -36.62 7.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 98.7 t -73.46 -72.85 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.145 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.2 p -76.05 -19.21 58.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.3 mt 58.51 52.26 7.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -102.12 163.03 12.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -94.93 117.26 29.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.655 HD21 ' CB ' ' A' ' 38' ' ' CYS . 0.3 OUTLIER -123.46 152.22 41.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.919 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.9 mttm -78.68 -44.34 23.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -132.41 77.36 70.35 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.6 0.714 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.541 ' HG2' HD11 ' A' ' 30' ' ' ILE . 53.1 Cg_endo -69.8 176.96 6.1 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.672 2.248 . . . . 0.0 112.328 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.4 t -103.27 111.68 33.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.541 HD11 ' HG2' ' A' ' 28' ' ' PRO . 5.2 mp -112.06 105.79 19.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.097 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.462 HD11 ' SG ' ' A' ' 33' ' ' CYS . 44.6 pt -80.98 -176.46 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.118 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -60.61 -46.19 91.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.487 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 0.9 OUTLIER -39.49 -44.15 1.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.863 -179.888 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.487 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . 104.42 52.5 0.87 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.505 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -141.97 165.34 27.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.0 110.832 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -105.07 142.07 35.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -152.45 138.14 17.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.722 ' O ' HG22 ' A' ' 42' ' ' ILE . 17.1 p -92.82 160.61 14.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.479 ' HA ' ' CG2' ' A' ' 42' ' ' ILE . 38.5 mmtm -57.81 -29.42 64.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.453 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . . . -69.42 -31.02 69.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.079 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 43' ' ' THR . 69.5 m -95.04 -65.92 0.95 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.722 HG22 ' O ' ' A' ' 38' ' ' CYS . 6.7 tp -36.24 -31.45 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.135 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.557 HG23 ' N ' ' A' ' 44' ' ' ARG . 8.8 t -64.59 -48.44 74.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.557 ' N ' HG23 ' A' ' 43' ' ' THR . 56.6 ttm-85 -45.89 -50.99 13.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.836 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 6.3 t-105 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 -179.971 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.48 ' HB1' ' HG3' ' A' ' 28' ' ' PRO . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.778 0.323 . . . . 0.0 111.094 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 75.6 p -174.27 156.97 2.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.6 t -58.48 167.25 1.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 79.8 p -102.84 -39.53 6.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.2 t -73.12 -71.72 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.102 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.7 p -74.68 -25.83 59.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.8 mt 65.09 54.77 1.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.54 ' O ' HD12 ' A' ' 25' ' ' LEU . 9.2 tp10 -105.44 150.92 24.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -83.59 117.48 23.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.962 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.618 HD21 ' HB3' ' A' ' 38' ' ' CYS . 1.3 mp -125.26 159.98 30.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.916 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.3 ttmm -81.75 -46.4 14.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -130.27 82.54 65.43 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.652 0.739 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.48 ' HG3' ' HB1' ' A' ' 16' ' ' ALA . 53.7 Cg_endo -69.79 143.61 51.25 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.657 2.238 . . . . 0.0 112.365 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 99.7 t -78.44 95.76 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.559 HG23 ' O ' ' A' ' 35' ' ' HIS . 54.5 mt -96.24 105.97 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 47.5 pt -71.91 -176.7 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -82.46 39.35 0.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.448 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 1.0 OUTLIER -117.74 -41.53 2.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.448 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . 117.83 41.83 0.64 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.519 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.559 ' O ' HG23 ' A' ' 30' ' ' ILE . 31.2 m-70 -149.7 179.12 8.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.839 0.352 . . . . 0.0 110.835 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -123.75 150.31 44.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.918 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -153.65 144.4 22.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.682 ' O ' HG22 ' A' ' 42' ' ' ILE . 27.1 p -95.55 146.83 24.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.471 ' HA ' ' CG2' ' A' ' 42' ' ' ILE . 0.9 OUTLIER -35.66 -30.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . -70.31 -55.83 8.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.102 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.473 ' O ' ' N ' ' A' ' 43' ' ' THR . 92.9 m -67.03 -63.29 1.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.926 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.682 HG22 ' O ' ' A' ' 38' ' ' CYS . 3.9 tp -36.04 -31.61 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 41' ' ' CYS . 25.0 m -63.73 -55.42 23.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.169 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 43' ' ' THR . 24.0 ttt180 -37.72 -46.04 0.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 5.3 t-105 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.957 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.406 ' HB1' ' HG3' ' A' ' 28' ' ' PRO . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.776 0.322 . . . . 0.0 111.111 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 85.1 p -165.44 152.23 10.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.833 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.6 t -53.73 160.46 1.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.4 m -101.5 -3.85 27.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.7 t -113.18 -55.31 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.159 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.477 ' O ' ' N ' ' A' ' 23' ' ' GLU . 24.6 p -102.63 15.58 28.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.51 HD22 ' N ' ' A' ' 22' ' ' LEU . 3.0 mm? 34.01 34.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 21' ' ' CYS . 36.5 tt0 -73.4 148.99 42.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -89.37 122.33 32.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.35 159.5 41.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.0 tppt? -87.93 -46.02 9.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.4 tp10 -126.39 84.15 62.73 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.69 0.757 . . . . 0.0 110.932 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.406 ' HG3' ' HB1' ' A' ' 16' ' ' ALA . 53.5 Cg_endo -69.75 155.82 64.97 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.679 2.253 . . . . 0.0 112.356 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.0 t -80.96 102.78 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.134 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.529 ' CD1' ' ND2' ' A' ' 36' ' ' ASN . 36.5 mm -94.33 116.44 35.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.185 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.4 pt -95.2 -175.29 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.177 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -51.38 -42.79 61.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.24 -35.08 79.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.86 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.524 ' O ' HG23 ' A' ' 30' ' ' ILE . . . 112.1 -50.23 0.79 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.472 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 34' ' ' GLY . 47.6 m170 -34.65 142.56 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.819 0.342 . . . . 0.0 110.858 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.701 HD22 ' N ' ' A' ' 36' ' ' ASN . 0.7 OUTLIER -89.17 154.72 19.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -155.09 139.99 17.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.618 ' O ' HG22 ' A' ' 42' ' ' ILE . 14.5 p -91.45 151.73 20.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.481 ' HA ' ' CG2' ' A' ' 42' ' ' ILE . 6.3 mtmp? -48.79 -37.85 20.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.443 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . . . -61.58 -31.19 71.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.086 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 42' ' ' ILE . 56.4 m -94.78 -68.72 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.618 HG22 ' O ' ' A' ' 38' ' ' CYS . 6.0 tp -37.4 -39.92 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.088 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.497 HG23 ' N ' ' A' ' 44' ' ' ARG . 5.9 t -46.97 -47.94 21.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.497 ' N ' HG23 ' A' ' 43' ' ' THR . 24.9 ttm180 -58.02 -43.22 86.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 9.6 t-105 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.995 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.82 0.343 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.1 m -165.04 158.71 17.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.6 t -56.57 167.09 0.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 73.3 m -103.34 -27.99 12.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.619 ' O ' HD23 ' A' ' 22' ' ' LEU . 79.1 t -88.34 -64.47 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.153 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.488 ' C ' HD23 ' A' ' 22' ' ' LEU . 29.9 p -86.58 1.22 52.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.63 ' N ' HD23 ' A' ' 22' ' ' LEU . 0.2 OUTLIER 34.38 51.6 0.46 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -100.2 148.67 24.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -81.93 123.54 28.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.924 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.716 HD21 ' HB3' ' A' ' 38' ' ' CYS . 0.2 OUTLIER -129.55 161.35 30.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.1 mmtp -96.45 -36.62 10.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -129.69 72.76 81.89 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.648 0.737 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -172.96 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.694 2.263 . . . . 0.0 112.345 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.8 t -127.25 101.17 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.2 mp -95.51 85.42 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.178 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.418 HD11 ' SG ' ' A' ' 33' ' ' CYS . 39.7 pt -51.74 -174.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -80.72 40.28 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.418 ' SG ' HD11 ' A' ' 31' ' ' ILE . 0.7 OUTLIER -128.4 -31.46 2.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 117.46 -51.73 0.72 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -51.25 169.42 0.05 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.778 0.323 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -111.01 151.84 27.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -153.86 138.76 17.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.716 ' HB3' HD21 ' A' ' 25' ' ' LEU . 31.8 p -95.45 147.05 23.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 38' ' ' CYS . 3.3 tptt -33.33 -42.7 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.08 -67.87 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 81.2 m -57.3 -65.26 0.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.591 HG22 ' O ' ' A' ' 38' ' ' CYS . 9.4 tp -39.1 -32.28 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.186 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 45' ' ' TRP . 3.1 m -76.51 -61.61 1.9 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.138 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -40.71 -25.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.453 ' N ' ' O ' ' A' ' 43' ' ' THR . 4.9 t-105 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.934 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.616 ' HB1' ' HG3' ' A' ' 28' ' ' PRO . . . . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.801 0.334 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.6 m -63.2 154.73 30.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.0 t -53.52 166.4 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.1 p -100.23 -32.81 10.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.7 t -81.88 -74.31 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.153 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.6 p -71.48 -14.14 62.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 39.9 mt 53.49 52.96 12.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -109.1 149.26 29.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -83.21 124.86 30.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.968 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.456 HD21 ' CB ' ' A' ' 38' ' ' CYS . 1.0 OUTLIER -129.78 160.62 32.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.7 mttm -84.02 -42.31 16.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -130.47 81.1 68.87 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.627 0.727 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.616 ' HG3' ' HB1' ' A' ' 16' ' ' ALA . 53.2 Cg_endo -69.78 145.65 57.69 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.656 2.237 . . . . 0.0 112.312 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.9 t -79.28 92.8 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 25.9 mt -82.33 105.94 12.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.431 HD11 ' HB3' ' A' ' 33' ' ' CYS . 30.5 pt -69.83 -174.78 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -81.38 40.71 0.58 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.431 ' HB3' HD11 ' A' ' 31' ' ' ILE . 5.9 t -133.89 -48.72 0.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 133.41 -28.91 3.23 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.461 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 23.7 m80 -62.78 166.42 5.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.793 0.33 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -103.02 142.31 34.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -149.53 134.49 17.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.825 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.456 ' CB ' HD21 ' A' ' 25' ' ' LEU . 17.1 p -97.81 156.89 16.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.7 ptpp? -52.58 -37.04 57.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.31 -30.21 70.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.093 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 42' ' ' ILE . 56.9 m -93.47 -72.47 0.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.416 HG22 ' O ' ' A' ' 38' ' ' CYS . 8.7 tp -36.17 -35.41 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 99.6 m -73.21 -64.03 1.06 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -49.74 -31.47 11.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 7.8 t-105 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.958 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.782 0.325 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 86.7 p -173.07 147.4 1.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.5 t -48.4 167.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.4 m -107.14 -39.82 5.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.0 t -70.48 -65.29 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.12 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 32.0 p -82.19 -19.81 39.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 76.3 mt 58.8 50.16 9.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.422 ' HG2' ' N ' ' A' ' 24' ' ' TYR . 20.9 tt0 -101.01 149.12 24.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.422 ' N ' ' HG2' ' A' ' 23' ' ' GLU . 68.3 t80 -82.7 124.1 29.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.91 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.424 HD21 ' HB3' ' A' ' 38' ' ' CYS . 0.5 OUTLIER -132.0 144.46 50.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.952 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -70.27 -46.63 63.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -130.57 75.64 78.63 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.625 0.726 . . . . 0.0 110.857 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 163.39 38.44 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.663 2.242 . . . . 0.0 112.396 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.5 t -73.68 92.25 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.481 HG12 ' ND2' ' A' ' 36' ' ' ASN . 63.2 mt -93.58 80.09 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.2 pt -61.91 -177.47 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -81.99 39.1 0.55 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -123.33 -37.02 2.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 125.47 -53.78 0.77 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.533 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -57.71 174.77 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.823 0.344 . . . . 0.0 110.853 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.509 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 9.3 m120 -127.02 153.38 46.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.509 ' CD1' ' O ' ' A' ' 36' ' ' ASN . 50.0 m-85 -154.06 145.42 23.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.529 ' SG ' ' HB3' ' A' ' 40' ' ' ALA . 27.7 p -94.22 149.98 20.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm -46.16 -20.5 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.529 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . . . -80.65 -37.65 30.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.117 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 89.6 m -95.87 -61.04 1.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.442 ' CG1' ' HB2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -42.13 -32.15 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.459 HG23 ' N ' ' A' ' 44' ' ' ARG . 10.1 t -61.71 -44.08 97.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.172 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.459 ' N ' HG23 ' A' ' 43' ' ' THR . 47.0 ttt180 -48.86 -59.23 3.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 15.8 t-105 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.966 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.667 ' HB1' ' HG3' ' A' ' 28' ' ' PRO . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.791 0.329 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.6 p -169.68 144.17 2.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.846 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.51 ' O ' HD13 ' A' ' 22' ' ' LEU . 13.2 t -42.74 165.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.84 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.416 ' HB2' ' CE1' ' A' ' 37' ' ' PHE . 2.0 m -102.54 -6.33 22.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.832 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 92.0 t -112.27 -58.06 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.451 ' O ' ' C ' ' A' ' 22' ' ' LEU . 28.4 p -99.6 12.82 35.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.51 HD13 ' O ' ' A' ' 18' ' ' CYS . 3.3 mm? 34.03 41.08 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.925 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -75.7 158.26 32.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -93.61 118.96 32.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.43 HD21 ' HB3' ' A' ' 38' ' ' CYS . 0.2 OUTLIER -135.03 136.9 42.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.947 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.423 ' HG2' ' N ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -68.26 -34.86 76.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 179.779 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.423 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 5.5 pt-20 -131.62 81.34 64.31 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.648 0.737 . . . . 0.0 110.909 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.667 ' HG3' ' HB1' ' A' ' 16' ' ' ALA . 53.5 Cg_endo -69.71 142.21 47.52 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.717 2.278 . . . . 0.0 112.356 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.5 t -67.93 91.34 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.122 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.427 ' O ' HG22 ' A' ' 30' ' ' ILE . 40.5 mt -91.15 81.35 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.13 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.505 HD11 ' SG ' ' A' ' 33' ' ' CYS . 33.0 pt -56.69 -175.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.48 36.35 0.53 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.505 ' SG ' HD11 ' A' ' 31' ' ' ILE . 1.2 p -119.33 -43.39 2.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.478 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . 113.06 45.92 0.73 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.508 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 20.7 m-70 -146.92 176.97 9.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.793 0.33 . . . . 0.0 110.843 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -118.19 141.62 48.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.416 ' CE1' ' HB2' ' A' ' 19' ' ' SER . 77.7 m-85 -155.14 136.67 14.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.616 ' O ' HG22 ' A' ' 42' ' ' ILE . 14.8 p -93.56 151.68 19.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.479 ' HA ' ' CG2' ' A' ' 42' ' ' ILE . 2.7 mptp? -43.98 -45.96 8.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.92 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.83 -36.87 67.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 60.9 m -89.02 -69.94 0.68 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.616 HG22 ' O ' ' A' ' 38' ' ' CYS . 8.0 tp -36.86 -35.69 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.092 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 100.0 m -72.65 -49.35 32.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.14 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.51 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -51.07 -23.44 3.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 4.7 t-105 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.958 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.778 ' HB1' ' HG3' ' A' ' 28' ' ' PRO . . . . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.79 0.329 . . . . 0.0 111.073 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 99.7 p -174.27 154.42 2.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.6 t -62.89 165.9 6.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.9 p -102.38 -34.85 9.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.7 t -77.59 -73.03 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.123 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.5 p -72.58 -16.86 61.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 64.8 mt 56.79 53.06 8.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -108.07 156.25 19.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -89.68 121.86 32.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.564 HD21 ' CB ' ' A' ' 38' ' ' CYS . 1.3 mp -127.09 138.51 53.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.5 ptmt -63.05 -42.13 99.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -134.76 82.21 44.86 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.683 0.754 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.778 ' HG3' ' HB1' ' A' ' 16' ' ' ALA . 53.4 Cg_endo -69.83 156.66 62.61 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.69 2.26 . . . . 0.0 112.319 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 66.0 t -80.68 121.89 34.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.622 HD12 ' O ' ' A' ' 28' ' ' PRO . 5.3 mp -113.82 100.31 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.439 HD11 ' SG ' ' A' ' 33' ' ' CYS . 39.3 pt -76.65 179.13 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.11 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -46.34 -46.33 18.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.439 ' SG ' HD11 ' A' ' 31' ' ' ILE . 1.0 OUTLIER -60.98 -35.99 78.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.515 ' O ' HG23 ' A' ' 30' ' ' ILE . . . 113.04 -48.25 0.96 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.455 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.479 ' C ' ' O ' ' A' ' 34' ' ' GLY . 66.4 m170 -32.1 135.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.823 0.344 . . . . 0.0 110.83 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -80.2 151.3 29.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -155.85 142.57 18.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.67 ' O ' HG22 ' A' ' 42' ' ' ILE . 19.3 p -99.3 152.6 19.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.938 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.448 ' HA ' ' CG2' ' A' ' 42' ' ' ILE . 38.5 mmtt -46.4 -35.84 5.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.455 ' C ' HG22 ' A' ' 43' ' ' THR . . . -64.38 -37.14 86.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 43' ' ' THR . 86.4 m -95.47 -64.38 1.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.67 HG22 ' O ' ' A' ' 38' ' ' CYS . 5.4 tp -38.64 -26.29 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.138 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.492 ' N ' ' O ' ' A' ' 41' ' ' CYS . 4.7 t -66.04 -46.14 78.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.203 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.455 ' N ' HG23 ' A' ' 43' ' ' THR . 38.0 ttt180 -49.26 -57.36 6.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 9.7 t-105 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.769 0.318 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.7 m -157.51 148.46 21.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.2 t -47.65 166.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.0 m -104.51 -34.98 8.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 64.9 t -77.0 -70.79 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.124 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.3 p -76.17 -16.03 59.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.7 mt 55.72 49.04 17.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -98.01 159.8 14.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -95.01 121.23 36.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.962 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.46 160.86 31.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.466 ' N ' ' HD2' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -84.31 -44.11 14.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.839 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -131.23 78.42 72.52 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.643 0.735 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -177.82 2.06 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.678 2.252 . . . . 0.0 112.375 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 43.1 t -108.7 119.62 58.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.443 ' N ' HD12 ' A' ' 30' ' ' ILE . 4.9 mp -109.22 138.37 36.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 42.3 pt -113.33 175.8 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -43.2 -45.78 5.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 9.9 t -60.35 -50.03 75.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 128.53 -40.92 1.64 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.467 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 28.8 m170 -39.69 142.83 0.28 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.839 0.352 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -89.88 150.54 22.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -153.26 137.48 16.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.545 ' SG ' ' HB3' ' A' ' 40' ' ' ALA . 18.1 p -91.58 150.74 21.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.415 ' HA ' HG22 ' A' ' 42' ' ' ILE . 9.8 tppt? -52.09 -20.35 2.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.545 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . . . -78.48 -31.21 47.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.08 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 59.7 m -95.11 -58.24 2.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.447 HG22 ' O ' ' A' ' 38' ' ' CYS . 10.6 tp -48.12 -25.36 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.477 HG22 ' C ' ' A' ' 40' ' ' ALA . 6.4 t -64.89 -39.25 93.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.164 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 30.0 ttt85 -57.82 -37.13 73.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 8.2 t-105 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.96 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.819 0.342 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.9 p -170.95 155.55 4.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.407 ' O ' HD13 ' A' ' 22' ' ' LEU . 11.1 t -52.29 167.77 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 80.8 p -106.03 -12.66 15.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.1 t -104.25 -48.04 9.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.12 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 22' ' ' LEU . 21.8 p -109.54 12.33 24.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.509 HD22 ' H ' ' A' ' 22' ' ' LEU . 3.3 mm? 33.98 40.38 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -74.17 150.99 40.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -89.65 102.91 15.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.94 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -118.19 155.24 30.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.2 mttm -81.0 -43.88 18.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -133.82 80.22 55.98 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.667 0.746 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 147.6 63.54 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.675 2.25 . . . . 0.0 112.379 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.4 t -70.2 91.14 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.117 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.401 ' O ' ' O ' ' A' ' 31' ' ' ILE . 37.9 mt -88.02 83.7 2.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.152 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.401 ' O ' ' O ' ' A' ' 30' ' ' ILE . 43.4 pt -50.69 -176.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.119 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.67 41.57 0.49 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -128.15 -33.0 2.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.849 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.74 -52.57 0.74 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.483 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 34.5 m80 -53.23 179.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.795 0.331 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.424 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 2.4 m-80 -123.57 158.65 30.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.424 ' CD1' ' C ' ' A' ' 36' ' ' ASN . 83.7 m-85 -155.76 145.84 21.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.832 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.463 ' SG ' ' HB3' ' A' ' 40' ' ' ALA . 15.8 p -99.95 150.8 22.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 42.8 mmtt -45.84 -35.93 4.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.463 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . . . -65.18 -32.82 74.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 42' ' ' ILE . 53.6 m -90.42 -70.03 0.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.469 HG23 ' N ' ' A' ' 43' ' ' THR . 6.7 tp -36.37 -42.26 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.124 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.5 HG23 ' N ' ' A' ' 44' ' ' ARG . 9.7 t -51.33 -45.64 62.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.09 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.5 ' N ' HG23 ' A' ' 43' ' ' THR . 29.2 ttp180 -48.79 -56.42 8.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 5.9 t-105 . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.967 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.445 ' HB1' ' CG ' ' A' ' 28' ' ' PRO . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.807 0.337 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.7 m -148.1 139.66 23.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.7 t -45.49 167.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 94.3 p -102.45 -41.41 6.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.4 t -70.25 -69.87 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.137 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.1 p -74.31 -19.09 60.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 76.7 mt 59.33 50.72 7.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -113.5 148.67 35.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.84 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -86.51 121.62 29.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.577 HD13 ' HB3' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -125.23 171.14 10.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.918 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.63 101.97 13.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.438 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 16.3 tp10 75.02 54.93 0.24 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.572 0.701 . . . . 0.0 110.919 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.577 ' HB3' HD13 ' A' ' 25' ' ' LEU . 53.7 Cg_endo -69.75 159.91 51.67 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.71 2.274 . . . . 0.0 112.349 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.1 t -61.62 117.71 3.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.191 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 44.3 mt -119.3 80.83 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 31.1 pt -63.39 161.84 2.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.127 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -42.34 -47.98 4.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 31.0 t -41.71 -44.69 3.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 118.48 -33.18 4.93 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.415 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.445 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 33.5 m170 -58.61 151.39 20.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.81 0.338 . . . . 0.0 110.863 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 -98.45 149.41 22.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.445 ' CZ ' ' HB2' ' A' ' 35' ' ' HIS . 19.0 m-85 -153.15 138.44 17.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.599 ' O ' HG22 ' A' ' 42' ' ' ILE . 14.3 p -101.35 148.46 25.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.921 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.472 ' HA ' ' CG2' ' A' ' 42' ' ' ILE . 36.8 mmtm -44.99 -40.13 6.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.445 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . . . -59.47 -35.4 74.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 42' ' ' ILE . 67.1 m -93.26 -69.15 0.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.599 HG22 ' O ' ' A' ' 38' ' ' CYS . 4.4 tp -36.02 -39.78 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.174 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.471 HG23 ' N ' ' A' ' 44' ' ' ARG . 3.5 t -44.8 -49.08 10.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.08 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.471 ' N ' HG23 ' A' ' 43' ' ' THR . 0.1 OUTLIER -54.02 -47.79 71.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 9.1 t-105 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.936 -179.96 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.524 ' HB3' ' HG3' ' A' ' 28' ' ' PRO . . . . . . . . 0 N--CA 1.457 -0.12 0 CA-C-O 120.762 0.315 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 82.7 p -167.02 158.31 12.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.837 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.9 t -61.74 168.79 2.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.3 m -105.28 -40.92 5.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.9 t -70.46 -67.84 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.139 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.4 p -79.74 -25.67 41.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.3 mt 66.21 54.65 0.94 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.478 ' O ' HD12 ' A' ' 25' ' ' LEU . 15.9 tp10 -104.6 152.87 21.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.448 ' N ' ' HG3' ' A' ' 23' ' ' GLU . 20.3 m-85 -85.1 121.11 27.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.93 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.478 HD12 ' O ' ' A' ' 23' ' ' GLU . 1.4 mp -129.71 142.8 50.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.91 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -68.83 -41.44 78.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -134.78 79.36 52.63 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.665 0.745 . . . . 0.0 110.862 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.524 ' HG3' ' HB3' ' A' ' 16' ' ' ALA . 53.9 Cg_endo -69.78 151.46 68.95 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.711 2.274 . . . . 0.0 112.343 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.576 HG11 HG13 ' A' ' 42' ' ' ILE . 91.4 t -66.35 85.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.087 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 24.5 mt -88.68 82.51 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.459 HD11 ' SG ' ' A' ' 33' ' ' CYS . 44.9 pt -66.33 -176.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -81.38 39.82 0.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.459 ' SG ' HD11 ' A' ' 31' ' ' ILE . 0.8 OUTLIER -125.18 -35.82 2.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.911 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.3 -51.63 0.78 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.5 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -59.53 167.26 2.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.594 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 44.4 m-20 -118.05 152.46 35.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.594 ' CD1' ' O ' ' A' ' 36' ' ' ASN . 38.2 m-85 -153.49 139.81 18.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 41' ' ' CYS . 31.3 p -92.17 152.58 19.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.3 mmmm -42.5 -28.92 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.968 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.402 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . . . -76.56 -36.54 57.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.073 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.463 ' N ' ' O ' ' A' ' 38' ' ' CYS . 84.8 m -93.67 -65.82 0.96 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.576 HG13 HG11 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -36.98 -45.52 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.148 179.913 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.536 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 77.3 m -59.92 -50.25 74.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.125 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -40.49 -39.48 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 6.9 t-105 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 -179.944 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.709 ' HB1' ' HG3' ' A' ' 28' ' ' PRO . . . . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.798 0.332 . . . . 0.0 111.092 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 91.5 p -174.7 152.43 1.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.4 t -54.64 167.42 0.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 t -102.59 -37.45 7.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 80.4 t -75.48 -71.76 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.12 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.5 p -75.53 -26.93 58.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.4 mt 67.47 53.09 0.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.415 ' O ' HD12 ' A' ' 25' ' ' LEU . 41.9 tt0 -98.23 158.09 15.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -88.73 117.21 27.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.415 HD12 ' O ' ' A' ' 23' ' ' GLU . 1.1 mp -129.27 140.83 51.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.96 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.8 tptm -66.65 -41.43 88.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.414 ' HA ' ' HD2' ' A' ' 28' ' ' PRO . 5.0 tp10 -134.21 89.2 28.73 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.65 0.738 . . . . 0.0 110.85 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.709 ' HG3' ' HB1' ' A' ' 16' ' ' ALA . 54.2 Cg_endo -69.7 147.4 63.15 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.682 2.255 . . . . 0.0 112.367 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.2 t -75.98 87.81 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.138 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.1 mt -74.76 105.66 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 40.0 pt -78.87 175.16 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.154 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -46.96 -47.13 21.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -56.42 -49.5 74.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 131.35 -40.93 1.57 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.479 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 22.9 m170 -45.23 163.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.845 0.355 . . . . 0.0 110.835 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -102.31 152.42 21.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -155.78 130.86 9.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.686 ' O ' HG22 ' A' ' 42' ' ' ILE . 30.3 p -87.39 146.4 25.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.476 ' C ' ' O ' ' A' ' 38' ' ' CYS . 1.4 mptp? -32.27 -42.93 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.83 -59.08 6.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 42' ' ' ILE . 86.7 m -65.76 -67.35 0.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.686 HG22 ' O ' ' A' ' 38' ' ' CYS . 4.2 tp -36.1 -34.2 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.129 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.417 ' N ' ' O ' ' A' ' 41' ' ' CYS . 8.4 m -69.54 -50.92 40.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.149 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 41' ' ' CYS . 7.7 tpt180 -42.57 -40.78 2.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 10.1 t-105 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.93 -179.975 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.814 0.34 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.534 ' HB3' ' CD1' ' A' ' 24' ' ' TYR . 37.1 p -121.66 148.66 44.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.3 t -46.47 136.02 7.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.7 t -88.37 24.2 1.98 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.6 t -132.28 -63.42 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.3 p -86.08 -9.76 56.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 52.2 mt 62.3 53.89 2.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -123.58 140.99 52.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.534 ' CD1' ' HB3' ' A' ' 17' ' ' SER . 78.2 m-85 -85.95 121.96 29.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.55 HD13 ' HB3' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -129.0 162.49 27.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.919 179.89 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.33 113.64 25.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.435 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 8.9 mt-10 64.58 55.02 1.39 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.653 0.74 . . . . 0.0 110.925 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.55 ' HB3' HD13 ' A' ' 25' ' ' LEU . 53.8 Cg_endo -69.75 156.29 63.76 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.639 2.226 . . . . 0.0 112.36 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 50.3 t -63.98 134.39 28.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.13 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.697 HD13 ' HA ' ' A' ' 36' ' ' ASN . 40.8 mm -135.52 108.34 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.412 ' O ' ' N ' ' A' ' 34' ' ' GLY . 44.6 pt -82.52 163.72 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -37.51 -42.93 0.56 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 28.3 t -53.91 -46.55 71.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 31' ' ' ILE . . . 119.99 -38.28 2.82 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.521 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -47.58 130.13 13.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.798 0.332 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.697 ' HA ' HD13 ' A' ' 30' ' ' ILE . 0.6 OUTLIER -73.22 154.52 40.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.458 ' CD1' ' O ' ' A' ' 36' ' ' ASN . 66.6 m-85 -155.72 135.47 12.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.799 ' O ' HG22 ' A' ' 42' ' ' ILE . 14.6 p -99.28 155.68 17.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.878 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.476 ' HA ' ' CG2' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -47.1 -39.26 12.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 179.918 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.66 -30.32 71.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.082 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 43' ' ' THR . 56.8 m -95.32 -66.31 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.799 HG22 ' O ' ' A' ' 38' ' ' CYS . 6.0 tp -36.96 -31.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 41' ' ' CYS . 98.7 m -74.93 -49.98 18.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.135 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.3 tpm_? -44.62 -36.57 3.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 8.8 t-105 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.1 t -135.9 116.77 14.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.88 0.371 . . . . 0.0 110.872 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -112.4 172.51 6.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.83 80.02 0.71 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.488 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -129.7 -61.62 1.0 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.846 0.355 . . . . 0.0 110.866 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.2 m -102.13 154.2 19.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.53 164.43 9.99 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.506 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -110.18 40.06 2.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.775 0.322 . . . . 0.0 111.048 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.449 HD22 ' HG2' ' A' ' 10' ' ' GLU . 2.4 tt -48.51 -61.14 2.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.449 ' HG2' HD22 ' A' ' 9' ' ' LEU . 11.3 pt-20 -171.27 114.33 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.433 ' CG ' ' O ' ' A' ' 10' ' ' GLU . 5.9 m-80 -162.56 131.87 4.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.926 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.431 ' N ' HD12 ' A' ' 12' ' ' LEU . 6.6 mp -86.38 81.08 8.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.943 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -168.77 137.71 2.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.6 t -123.96 138.75 52.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.125 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -148.67 158.62 44.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.542 ' HB3' ' HG3' ' A' ' 28' ' ' PRO . . . -113.76 -179.36 3.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.103 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 84.9 p -161.25 152.01 18.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.6 t -50.58 167.09 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.2 m -106.18 -37.18 6.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.5 t -71.52 -69.84 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.103 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.0 p -80.74 -15.46 56.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 23.9 mt 55.96 51.04 12.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -101.66 150.25 23.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.908 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -83.17 120.52 25.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.582 HD21 ' CB ' ' A' ' 38' ' ' CYS . 0.7 OUTLIER -123.86 164.28 19.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.956 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -89.48 -39.17 13.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -134.58 81.5 47.86 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.676 0.75 . . . . 0.0 110.871 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.542 ' HG3' ' HB3' ' A' ' 16' ' ' ALA . 54.3 Cg_endo -69.7 140.95 44.15 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.708 2.272 . . . . 0.0 112.354 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.7 t -74.86 102.37 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 27.6 mm -88.98 89.23 3.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.143 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 24.9 pt -61.6 176.9 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 33' ' ' CYS . 15.9 pt-20 -47.49 -46.86 27.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.421 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 0.8 OUTLIER -54.44 -54.29 42.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.925 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 130.16 -36.38 2.33 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.457 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -46.69 153.18 0.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.779 0.323 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -88.43 140.79 29.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -147.02 132.14 18.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.696 ' O ' HG22 ' A' ' 42' ' ' ILE . 16.4 p -90.26 156.41 18.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.14 -44.35 21.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.48 -33.59 71.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 43' ' ' THR . 57.0 m -92.48 -69.71 0.73 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.696 HG22 ' O ' ' A' ' 38' ' ' CYS . 8.0 tp -37.1 -29.48 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.114 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.471 ' N ' ' O ' ' A' ' 41' ' ' CYS . 17.5 m -74.39 -48.19 29.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.13 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 41' ' ' CYS . 12.6 tpt180 -45.27 -38.09 5.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 10.5 t-105 -91.54 -43.45 9.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.976 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.528 ' CG ' ' O ' ' A' ' 46' ' ' TRP . 23.9 t90 -81.35 41.63 0.62 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.914 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.446 ' HG3' ' N ' ' A' ' 48' ' ' ASP . 11.4 pt-20 -74.1 -42.48 60.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.446 ' N ' ' HG3' ' A' ' 47' ' ' GLU . 3.1 p30 -102.72 175.07 5.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 51.2 mt -83.06 43.19 0.85 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -85.9 49.61 1.81 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 -44.12 -44.55 7.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -82.56 92.35 7.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.812 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.531 ' CG ' ' HD2' ' A' ' 54' ' ' PRO . 4.0 t80 -163.9 140.55 5.38 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.666 0.746 . . . . 0.0 110.91 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.531 ' HD2' ' CG ' ' A' ' 53' ' ' PHE . 54.1 Cg_endo -69.71 156.24 64.02 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.71 2.273 . . . . 0.0 112.309 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 37.5 t -58.75 137.17 86.79 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.601 0.715 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -48.24 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.69 2.26 . . . . 0.0 112.384 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.5 t -57.55 -55.66 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 59.5 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.952 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.7 m -134.8 154.69 51.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.892 0.377 . . . . 0.0 110.895 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -61.84 105.81 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.72 -141.34 3.9 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.471 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.7 m -45.08 148.54 0.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.833 0.349 . . . . 0.0 110.872 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.7 m -159.37 124.05 4.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.808 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.53 148.59 20.35 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.49 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -49.0 116.81 1.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.798 0.332 . . . . 0.0 111.082 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 22.4 mt -115.37 106.97 14.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -142.33 164.55 29.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.1 p30 -114.83 43.4 1.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.0 mp 48.94 43.3 21.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -93.02 70.47 4.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.1 m -88.37 149.34 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.119 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.434 ' C ' ' CD ' ' A' ' 15' ' ' GLU . 2.1 pp20? -138.08 139.08 39.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -110.91 139.66 46.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.13 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.2 t -145.75 150.96 37.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.4 t -49.23 163.43 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.0 m -98.73 -18.38 18.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 77.3 t -98.1 -67.67 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.155 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.9 p -79.79 -4.01 50.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 16.3 mt 42.63 53.87 4.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.405 ' O ' HD12 ' A' ' 25' ' ' LEU . 3.8 tt0 -108.06 143.52 36.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -78.86 120.27 23.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.488 HD21 ' HB3' ' A' ' 38' ' ' CYS . 0.9 OUTLIER -121.13 177.5 5.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.949 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.4 tttt -97.78 -45.08 6.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -131.93 82.74 58.86 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.619 0.723 . . . . 0.0 110.855 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 156.49 63.05 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.7 2.267 . . . . 0.0 112.342 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.3 t -86.39 92.12 3.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 81.8 mt -82.48 107.71 14.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 20.1 pt -82.24 -176.49 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.427 ' H ' ' CD ' ' A' ' 32' ' ' GLU . 17.8 mp0 -52.77 -45.55 67.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -54.61 -58.27 8.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 136.89 -35.87 2.04 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.49 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.5 m170 -48.99 158.15 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.85 0.357 . . . . 0.0 110.855 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -96.73 147.92 23.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -151.92 133.72 14.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.655 ' O ' HG22 ' A' ' 42' ' ' ILE . 17.8 p -93.69 155.91 16.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.573 ' O ' HG22 ' A' ' 43' ' ' THR . 8.0 tppt? -49.78 -40.56 41.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.939 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.503 ' C ' HG22 ' A' ' 43' ' ' THR . . . -59.73 -34.6 73.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 63.5 m -92.58 -67.29 0.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.655 HG22 ' O ' ' A' ' 38' ' ' CYS . 4.8 tp -39.46 -36.0 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.573 HG22 ' O ' ' A' ' 39' ' ' LYS . 1.9 t -48.12 -50.24 29.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.448 ' N ' HG23 ' A' ' 43' ' ' THR . 72.9 ttt-85 -50.59 -43.32 56.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 10.7 t-105 -89.9 24.17 2.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.434 ' O ' ' C ' ' A' ' 47' ' ' GLU . 1.9 t90 -123.71 -40.29 2.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.912 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 46' ' ' TRP . 8.9 tt0 -35.4 -40.34 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -91.44 79.64 5.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.839 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.652 HD23 ' H ' ' A' ' 49' ' ' LEU . 1.6 pt? -83.8 20.58 1.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -114.08 -46.84 2.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.586 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 68.2 mmt-85 -78.23 162.82 26.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.824 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.34 123.46 40.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.586 ' CZ ' ' HB3' ' A' ' 51' ' ' ARG . 26.0 m-85 -141.21 143.83 32.25 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.641 0.734 . . . . 0.0 110.886 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 176.68 6.42 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.718 2.279 . . . . 0.0 112.363 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 54.1 t -51.81 134.32 37.21 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.636 0.732 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -44.37 2.16 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.708 2.272 . . . . 0.0 112.345 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 76.8 t -61.71 -52.83 56.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.112 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 85.0 m . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.959 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 m 40.83 42.16 1.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.899 0.381 . . . . 0.0 110.876 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.3 p -128.12 123.26 34.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.84 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.9 -64.73 0.43 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.489 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.5 p -120.7 84.35 2.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 0.0 110.793 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 m -165.03 177.07 8.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.32 -145.94 6.96 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -97.94 39.73 1.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.848 0.356 . . . . 0.0 111.127 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.592 HD23 ' O ' ' A' ' 9' ' ' LEU . 0.7 OUTLIER -67.2 126.62 29.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -108.34 131.7 54.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -80.51 94.71 6.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 mp -142.5 123.39 14.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -127.0 41.5 3.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.0 m -82.46 159.14 3.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.107 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -167.81 133.12 1.9 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.597 ' HB1' ' HG3' ' A' ' 28' ' ' PRO . . . -74.08 126.73 31.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.2 p -159.53 149.55 18.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.6 t -45.67 167.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.847 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.5 m -105.76 -32.97 8.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 83.5 t -77.06 -67.21 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.11 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.8 p -82.24 -18.68 41.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.3 mt 58.44 52.6 6.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.945 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.426 ' O ' HD12 ' A' ' 25' ' ' LEU . 13.7 tt0 -104.27 148.37 26.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -80.38 127.49 32.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.911 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.461 HD21 ' HB3' ' A' ' 38' ' ' CYS . 1.1 mp -131.43 162.6 29.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.896 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -85.58 -40.1 16.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -133.13 86.56 41.84 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.668 0.747 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.597 ' HG3' ' HB1' ' A' ' 16' ' ' ALA . 53.8 Cg_endo -69.72 136.0 31.99 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.679 2.252 . . . . 0.0 112.331 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.2 t -75.08 91.37 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.159 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.581 HD11 ' CG ' ' A' ' 36' ' ' ASN . 46.2 mm -88.43 113.69 25.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.591 HD11 ' SG ' ' A' ' 33' ' ' CYS . 41.0 pt -84.83 -178.54 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -54.54 -46.71 73.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.591 ' SG ' HD11 ' A' ' 31' ' ' ILE . 1.0 OUTLIER -48.71 -39.46 24.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.403 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . 101.4 46.54 1.67 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.477 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 48.7 m170 -133.26 151.23 51.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.812 0.339 . . . . 0.0 110.84 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.581 ' CG ' HD11 ' A' ' 30' ' ' ILE . 2.1 m-80 -87.97 146.21 25.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.418 ' HE1' HG23 ' A' ' 57' ' ' VAL . 82.1 m-85 -155.92 130.27 8.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.695 ' SG ' ' HB3' ' A' ' 40' ' ' ALA . 19.2 p -88.93 140.58 29.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.48 ' HA ' ' CG2' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -37.52 -27.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.886 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.695 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . . . -66.88 -49.57 65.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.068 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.472 ' O ' ' N ' ' A' ' 43' ' ' THR . 76.9 m -80.32 -66.09 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.48 ' CG2' ' HA ' ' A' ' 39' ' ' LYS . 9.0 tp -36.07 -30.81 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.149 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.472 ' N ' ' O ' ' A' ' 41' ' ' CYS . 15.9 m -76.42 -63.65 1.28 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.411 ' HD2' ' C ' ' A' ' 44' ' ' ARG . 0.5 OUTLIER -39.25 -28.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.449 ' N ' ' O ' ' A' ' 43' ' ' THR . 4.3 t-105 -96.82 -37.45 10.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.526 ' O ' ' CG ' ' A' ' 46' ' ' TRP . 21.4 t90 -90.85 37.63 0.93 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.938 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -49.68 -62.51 1.52 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -86.37 152.74 22.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.5 mp -96.73 80.39 3.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -119.84 -59.0 1.84 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -174.17 150.8 1.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.829 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -114.25 42.37 2.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.492 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 6.5 m-85 -69.57 -60.35 3.98 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.628 0.728 . . . . 0.0 110.857 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 53' ' ' PHE . 53.5 Cg_endo -69.74 126.85 13.81 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.668 2.245 . . . . 0.0 112.407 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 36.2 t -110.19 137.35 20.55 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.609 0.718 . . . . 0.0 110.94 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -36.27 11.07 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.689 2.26 . . . . 0.0 112.344 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.418 HG23 ' HE1' ' A' ' 37' ' ' PHE . 91.0 t -71.51 -58.39 5.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.103 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 97.1 m . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.826 -179.943 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.6 p -144.64 167.93 21.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.879 0.371 . . . . 0.0 110.852 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.2 t -130.75 101.01 5.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.847 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.61 106.65 0.25 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.485 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.6 p -84.73 -44.13 13.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.881 0.372 . . . . 0.0 110.845 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.8 m -151.28 110.43 3.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.847 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.05 113.87 1.12 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.479 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.15 -43.21 92.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.835 0.35 . . . . 0.0 111.131 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.9 tt -55.49 100.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -121.23 -48.11 2.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -71.59 142.16 50.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.582 HD12 ' C ' ' A' ' 12' ' ' LEU . 2.0 pp -112.76 172.09 7.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.5 mm100 -131.31 145.21 51.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.6 m -53.06 138.73 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -111.43 152.31 27.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.819 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.461 ' HB1' ' HG3' ' A' ' 28' ' ' PRO . . . -104.52 143.14 33.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.119 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.4 t -159.69 153.1 22.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.852 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.5 t -56.8 167.21 0.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.2 m -102.4 -27.45 12.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.814 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 74.6 t -87.19 -65.84 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.106 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.0 p -80.34 -20.72 43.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.5 mt 59.53 54.26 4.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.444 ' O ' HD12 ' A' ' 25' ' ' LEU . 25.8 mm-40 -107.21 146.76 31.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.859 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -80.53 115.58 20.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.444 HD12 ' O ' ' A' ' 23' ' ' GLU . 0.6 OUTLIER -119.89 174.34 6.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.943 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.46 ' HD3' ' N ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -97.83 -40.7 8.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 179.867 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -133.84 82.37 49.98 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.631 0.729 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.461 ' HG3' ' HB1' ' A' ' 16' ' ' ALA . 53.7 Cg_endo -69.78 147.31 62.44 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.684 2.256 . . . . 0.0 112.296 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.5 t -79.61 84.97 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 56.6 mt -74.07 99.75 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 42.7 pt -67.1 177.11 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.142 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -51.15 -46.8 62.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -52.52 -59.04 4.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 139.92 -29.82 2.41 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 23.3 m170 -57.44 141.48 47.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.807 0.337 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -79.86 148.67 31.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -154.54 135.37 13.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.429 ' HB3' HD21 ' A' ' 25' ' ' LEU . 16.5 p -93.43 152.83 18.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.57 ' HA ' HG22 ' A' ' 42' ' ' ILE . 8.9 ttmt -46.72 -42.37 16.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.528 ' C ' HG22 ' A' ' 43' ' ' THR . . . -58.47 -30.93 67.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.078 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 56.8 m -95.03 -64.39 1.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.57 HG22 ' HA ' ' A' ' 39' ' ' LYS . 4.7 tp -44.43 -26.45 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.528 HG22 ' C ' ' A' ' 40' ' ' ALA . 3.3 t -57.33 -45.01 84.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.142 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.405 ' N ' HG23 ' A' ' 43' ' ' THR . 26.0 ttm180 -45.87 -52.8 10.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.861 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 7.7 t-105 -74.95 -47.02 31.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.437 ' CG ' ' O ' ' A' ' 46' ' ' TRP . 23.4 t90 -80.55 42.85 0.63 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.916 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -71.96 -58.67 3.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -125.25 43.86 2.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.1 mt 51.99 50.83 17.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.957 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -77.47 47.85 0.61 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -57.24 -177.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 70.65 42.82 0.8 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -147.05 142.31 16.87 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.664 0.745 . . . . 0.0 110.871 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 163.47 38.1 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.713 2.275 . . . . 0.0 112.326 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 39.5 t -53.04 137.01 47.57 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.614 0.721 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -47.96 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.648 2.232 . . . . 0.0 112.337 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.405 ' O ' ' C ' ' A' ' 58' ' ' CYS . 85.1 t -57.47 -66.95 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 57' ' ' VAL . 72.9 m . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.6 m -122.24 156.76 33.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.883 0.373 . . . . 0.0 110.806 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -134.64 145.03 48.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.866 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.01 -165.68 26.52 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.521 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.0 t 51.88 41.87 29.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.857 0.361 . . . . 0.0 110.891 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.8 t -130.03 144.8 51.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.835 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.03 150.05 5.14 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.5 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -169.63 105.84 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.799 0.333 . . . . 0.0 111.096 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.8 mt -136.44 144.49 44.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 42.29 41.02 1.98 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 42.9 p-10 -62.44 115.37 4.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.45 HD11 ' OE2' ' A' ' 15' ' ' GLU . 0.5 OUTLIER -41.51 107.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -41.81 154.53 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.93 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.0 m -53.58 132.18 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.45 ' OE2' HD11 ' A' ' 12' ' ' LEU . 10.1 mm-40 -104.89 158.63 16.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.829 ' HB1' ' HG3' ' A' ' 28' ' ' PRO . . . -77.03 147.75 36.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.5 p -173.59 156.98 3.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.6 t -60.05 166.91 2.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 71.8 m -103.37 -34.48 8.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 97.5 t -79.54 -70.05 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.158 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 32.1 p -77.06 -18.86 57.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.5 mt 56.83 53.28 8.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.414 ' HG2' ' N ' ' A' ' 24' ' ' TYR . 42.0 tt0 -101.67 162.1 13.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.414 ' N ' ' HG2' ' A' ' 23' ' ' GLU . 37.8 t80 -90.49 111.83 23.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.916 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.667 HD21 ' HB3' ' A' ' 38' ' ' CYS . 1.1 mp -119.86 152.35 37.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.927 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -76.7 -43.71 36.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -131.89 80.95 64.08 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.621 0.724 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.829 ' HG3' ' HB1' ' A' ' 16' ' ' ALA . 53.3 Cg_endo -69.83 139.63 40.45 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.65 2.233 . . . . 0.0 112.301 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.4 t -69.43 96.46 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.175 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.46 HD11 ' OD1' ' A' ' 36' ' ' ASN . 80.7 mt -101.44 104.54 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 40.0 pt -73.99 -175.44 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -83.43 37.18 0.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 1.1 p -116.28 -40.36 3.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.424 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . 115.86 38.04 1.0 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.556 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.405 ' CD2' ' O ' ' A' ' 34' ' ' GLY . 32.2 m170 -146.49 158.11 43.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.789 0.328 . . . . 0.0 110.87 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.46 ' OD1' HD11 ' A' ' 30' ' ' ILE . 2.5 m-80 -108.38 148.63 29.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.499 ' HE1' HG23 ' A' ' 57' ' ' VAL . 53.4 m-85 -155.57 144.58 20.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.667 ' HB3' HD21 ' A' ' 25' ' ' LEU . 14.8 p -99.51 155.48 17.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.589 ' O ' HG22 ' A' ' 43' ' ' THR . 0.4 OUTLIER -48.7 -45.63 39.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.909 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.516 ' C ' HG22 ' A' ' 43' ' ' THR . . . -55.42 -32.8 63.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.06 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.462 ' O ' ' N ' ' A' ' 43' ' ' THR . 61.8 m -94.72 -67.71 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.554 HG22 ' O ' ' A' ' 38' ' ' CYS . 8.3 tp -40.26 -24.99 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.589 HG22 ' O ' ' A' ' 39' ' ' LYS . 5.3 t -66.95 -49.28 65.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.135 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.504 ' N ' HG23 ' A' ' 43' ' ' THR . 5.0 ptm180 -53.46 -37.59 62.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.558 ' CD1' ' HB2' ' A' ' 54' ' ' PRO . 9.4 t-105 -80.12 -47.51 14.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.441 ' O ' ' C ' ' A' ' 47' ' ' GLU . 2.0 t90 -36.82 -40.88 0.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 46' ' ' TRP . 10.8 tt0 -34.34 -44.26 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -60.31 83.69 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.77 -24.6 65.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -51.35 -45.77 62.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -96.1 150.1 20.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.29 -61.82 1.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -116.32 65.43 3.01 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.636 0.731 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.558 ' HB2' ' CD1' ' A' ' 45' ' ' TRP . 53.5 Cg_endo -69.79 152.19 69.11 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.68 2.253 . . . . 0.0 112.322 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 49.0 t -144.86 125.66 7.53 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.645 0.735 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -45.53 1.57 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.694 2.263 . . . . 0.0 112.367 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.499 HG23 ' HE1' ' A' ' 37' ' ' PHE . 57.3 t -58.27 -56.27 17.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.181 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 16.8 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.99 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.5 t -174.36 132.34 0.38 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.868 0.366 . . . . 0.0 110.88 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -155.64 155.2 32.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.57 -176.64 17.89 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.47 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.4 t -171.69 136.09 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.858 0.361 . . . . 0.0 110.894 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.0 m -145.73 149.25 34.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.82 -139.62 4.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.458 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 9' ' ' LEU . . . -93.78 -62.26 1.39 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.844 0.354 . . . . 0.0 111.095 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 8' ' ' ALA . 19.3 mt 35.94 41.89 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -53.07 95.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -123.77 84.13 2.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 32.3 tp -69.95 98.49 1.28 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -140.59 116.52 10.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.0 t -95.19 137.99 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -126.65 133.37 51.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.426 ' CB ' ' HG3' ' A' ' 28' ' ' PRO . . . -63.56 176.79 0.79 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.114 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.5 t -175.03 153.0 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.4 t -64.59 169.08 5.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.4 m -103.55 -40.57 6.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.837 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 86.5 t -71.16 -68.77 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.115 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.4 p -77.3 -28.8 53.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 16.6 mt 66.98 51.41 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.424 ' O ' HD12 ' A' ' 25' ' ' LEU . 41.7 mt-10 -106.69 150.91 25.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -83.36 117.28 22.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.936 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.781 HD21 ' HB3' ' A' ' 38' ' ' CYS . 1.6 mp -118.17 170.42 8.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.877 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.485 ' HG2' ' N ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -97.33 -35.18 10.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.843 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.485 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 15.8 mm-40 -134.97 77.04 57.39 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.621 0.725 . . . . 0.0 110.929 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.426 ' HG3' ' CB ' ' A' ' 16' ' ' ALA . 54.0 Cg_endo -69.7 142.58 48.56 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.696 2.264 . . . . 0.0 112.345 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 81.4 t -74.63 95.29 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.581 HG23 ' O ' ' A' ' 34' ' ' GLY . 30.5 mt -94.86 95.89 5.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.658 HD11 ' SG ' ' A' ' 33' ' ' CYS . 38.5 pt -71.88 176.59 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.122 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -48.31 -43.54 33.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.919 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.658 ' SG ' HD11 ' A' ' 31' ' ' ILE . 0.8 OUTLIER -59.02 -34.21 71.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.581 ' O ' HG23 ' A' ' 30' ' ' ILE . . . 113.58 -49.62 0.83 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.452 ' C ' ' O ' ' A' ' 34' ' ' GLY . 44.9 m170 -33.54 146.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.321 . . . . 0.0 110.863 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -102.96 150.97 23.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -155.64 131.9 10.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.781 ' HB3' HD21 ' A' ' 25' ' ' LEU . 29.6 p -80.58 144.78 32.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.479 ' HA ' ' CG2' ' A' ' 42' ' ' ILE . 3.4 mtmp? -32.02 -41.28 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . -60.5 -66.22 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.094 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 42' ' ' ILE . 92.5 m -58.56 -65.32 0.67 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.737 HG22 ' O ' ' A' ' 38' ' ' CYS . 5.6 tp -36.12 -37.87 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.085 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.0 m -66.66 -49.79 65.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.17 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 41' ' ' CYS . 22.7 ttt180 -43.71 -41.59 4.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.518 ' CD1' ' HD3' ' A' ' 56' ' ' PRO . 12.9 t-105 -89.49 -60.14 2.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.466 ' O ' ' CD1' ' A' ' 46' ' ' TRP . 2.1 t90 -36.33 -40.55 0.24 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 46' ' ' TRP . 15.4 mt-10 -34.11 -45.27 0.2 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.833 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 49' ' ' LEU . 1.1 m-20 -79.34 120.36 23.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 48' ' ' ASP . 61.1 mt -36.29 138.96 0.18 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 51' ' ' ARG . 35.4 mm-40 -81.64 43.59 0.76 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.471 ' HG2' ' N ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -38.15 -38.23 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.906 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.473 ' O ' ' C ' ' A' ' 53' ' ' PHE . 0.6 OUTLIER -134.99 40.59 2.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.473 ' C ' ' O ' ' A' ' 52' ' ' ASP . 5.6 t80 32.41 54.79 1.06 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.624 0.726 . . . . 0.0 110.891 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.433 ' CD ' ' N ' ' A' ' 53' ' ' PHE . 54.0 Cg_endo -69.74 165.1 32.08 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.69 2.26 . . . . 0.0 112.335 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 44.3 t -138.44 134.64 17.6 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.604 0.716 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.518 ' HD3' ' CD1' ' A' ' 45' ' ' TRP . 53.6 Cg_endo -69.77 -4.65 14.46 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.7 2.266 . . . . 0.0 112.308 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.403 ' HB ' ' ND1' ' A' ' 35' ' ' HIS . 24.3 t -115.81 -72.66 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 57' ' ' VAL . 79.3 m . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.8 m -104.22 132.84 50.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.877 0.37 . . . . 0.0 110.864 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.9 t -135.43 144.04 46.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.15 -166.57 17.63 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.53 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t -116.29 160.47 20.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.899 0.38 . . . . 0.0 110.902 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.9 p -139.36 131.14 27.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.96 171.87 54.37 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.51 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -125.3 38.37 4.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.855 0.36 . . . . 0.0 111.117 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.3 tp -86.54 116.58 24.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.525 ' O ' HD12 ' A' ' 12' ' ' LEU . 16.2 pt-20 -109.72 -47.73 3.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.89 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.458 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 70.8 m-20 60.9 44.17 10.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.861 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.525 HD12 ' O ' ' A' ' 10' ' ' GLU . 5.7 mp -112.6 41.73 1.98 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -43.52 157.87 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.469 HG22 ' N ' ' A' ' 15' ' ' GLU . 13.5 p -112.25 158.73 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.469 ' N ' HG22 ' A' ' 14' ' ' VAL . 16.7 mm-40 -127.21 170.12 12.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.53 120.27 24.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.08 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.7 m -155.13 152.49 29.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.6 t -50.96 166.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 81.1 p -104.0 -36.62 7.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 98.7 t -73.46 -72.85 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.145 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.2 p -76.05 -19.21 58.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.3 mt 58.51 52.26 7.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -102.12 163.03 12.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -94.93 117.26 29.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.655 HD21 ' CB ' ' A' ' 38' ' ' CYS . 0.3 OUTLIER -123.46 152.22 41.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.919 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.9 mttm -78.68 -44.34 23.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -132.41 77.36 70.35 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.6 0.714 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.541 ' HG2' HD11 ' A' ' 30' ' ' ILE . 53.1 Cg_endo -69.8 176.96 6.1 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.672 2.248 . . . . 0.0 112.328 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.4 t -103.27 111.68 33.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.541 HD11 ' HG2' ' A' ' 28' ' ' PRO . 5.2 mp -112.06 105.79 19.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.097 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.462 HD11 ' SG ' ' A' ' 33' ' ' CYS . 44.6 pt -80.98 -176.46 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.118 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -60.61 -46.19 91.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.487 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 0.9 OUTLIER -39.49 -44.15 1.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.863 -179.888 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.487 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . 104.42 52.5 0.87 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.505 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.434 ' CD2' ' O ' ' A' ' 34' ' ' GLY . 43.9 m170 -141.97 165.34 27.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.0 110.832 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -105.07 142.07 35.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -152.45 138.14 17.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.722 ' O ' HG22 ' A' ' 42' ' ' ILE . 17.1 p -92.82 160.61 14.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.479 ' HA ' ' CG2' ' A' ' 42' ' ' ILE . 38.5 mmtm -57.81 -29.42 64.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.453 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . . . -69.42 -31.02 69.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.079 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 43' ' ' THR . 69.5 m -95.04 -65.92 0.95 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.722 HG22 ' O ' ' A' ' 38' ' ' CYS . 6.7 tp -36.24 -31.45 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.135 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.557 HG23 ' N ' ' A' ' 44' ' ' ARG . 8.8 t -64.59 -48.44 74.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.557 ' N ' HG23 ' A' ' 43' ' ' THR . 56.6 ttm-85 -45.89 -50.99 13.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.836 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 6.3 t-105 -77.44 -40.07 44.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.471 ' O ' ' CG ' ' A' ' 46' ' ' TRP . 25.6 t90 -89.17 46.31 1.37 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.447 ' O ' ' CG ' ' A' ' 48' ' ' ASP . 19.7 tt0 -62.8 77.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.871 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.447 ' CG ' ' O ' ' A' ' 47' ' ' GLU . 1.9 p30 46.54 49.83 13.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.512 HD22 HH12 ' A' ' 51' ' ' ARG . 96.4 mt -113.5 108.67 17.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.18 -41.75 84.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.512 HH12 HD22 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -60.01 160.71 7.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.9 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -103.53 107.46 18.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.505 ' CE1' HD13 ' A' ' 49' ' ' LEU . 34.9 m-85 -88.06 153.04 51.51 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.678 0.751 . . . . 0.0 110.859 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 126.88 13.85 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.694 2.263 . . . . 0.0 112.382 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 8.9 t -45.46 139.47 4.57 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.614 0.721 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -50.81 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.673 2.249 . . . . 0.0 112.341 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.4 t -51.65 -51.98 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.058 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 93.8 m . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.97 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.0 p -145.16 146.54 31.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.909 0.385 . . . . 0.0 110.823 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.0 t -94.35 -45.19 7.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.86 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.03 82.32 1.51 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.504 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.4 p -100.67 41.44 1.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.861 0.363 . . . . 0.0 110.865 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.0 p -59.85 171.6 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.811 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.69 68.43 0.6 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.487 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.23 79.14 9.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.812 0.339 . . . . 0.0 111.103 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.8 tp -102.51 105.21 15.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -115.62 120.56 39.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -172.67 107.25 0.18 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.8 tp -112.85 82.34 1.64 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -94.15 133.3 37.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.2 p -121.98 144.65 30.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -108.15 138.71 43.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.48 ' HB1' ' HG3' ' A' ' 28' ' ' PRO . . . -53.45 151.79 5.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.094 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 75.6 p -174.27 156.97 2.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.6 t -58.48 167.25 1.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 79.8 p -102.84 -39.53 6.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.2 t -73.12 -71.72 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.102 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.7 p -74.68 -25.83 59.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.8 mt 65.09 54.77 1.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.54 ' O ' HD12 ' A' ' 25' ' ' LEU . 9.2 tp10 -105.44 150.92 24.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -83.59 117.48 23.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.962 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.618 HD21 ' HB3' ' A' ' 38' ' ' CYS . 1.3 mp -125.26 159.98 30.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.916 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.3 ttmm -81.75 -46.4 14.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -130.27 82.54 65.43 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.652 0.739 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.48 ' HG3' ' HB1' ' A' ' 16' ' ' ALA . 53.7 Cg_endo -69.79 143.61 51.25 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.657 2.238 . . . . 0.0 112.365 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 99.7 t -78.44 95.76 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.559 HG23 ' O ' ' A' ' 35' ' ' HIS . 54.5 mt -96.24 105.97 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 47.5 pt -71.91 -176.7 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -82.46 39.35 0.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.448 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 1.0 OUTLIER -117.74 -41.53 2.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.475 ' O ' ' CD2' ' A' ' 35' ' ' HIS . . . 117.83 41.83 0.64 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.519 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.559 ' O ' HG23 ' A' ' 30' ' ' ILE . 29.1 m170 -149.7 179.12 8.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.839 0.352 . . . . 0.0 110.835 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -123.75 150.31 44.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.918 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -153.65 144.4 22.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.682 ' O ' HG22 ' A' ' 42' ' ' ILE . 27.1 p -95.55 146.83 24.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.471 ' HA ' ' CG2' ' A' ' 42' ' ' ILE . 0.9 OUTLIER -35.66 -30.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . -70.31 -55.83 8.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.102 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.473 ' O ' ' N ' ' A' ' 43' ' ' THR . 92.9 m -67.03 -63.29 1.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.926 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.682 HG22 ' O ' ' A' ' 38' ' ' CYS . 3.9 tp -36.04 -31.61 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 41' ' ' CYS . 25.0 m -63.73 -55.42 23.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.169 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 43' ' ' THR . 24.0 ttt180 -37.72 -46.04 0.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 5.3 t-105 -83.23 -40.03 20.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.469 ' O ' ' C ' ' A' ' 47' ' ' GLU . 2.2 t90 -40.59 -42.03 1.6 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.469 ' C ' ' O ' ' A' ' 46' ' ' TRP . 14.1 tp10 -32.67 -38.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 46' ' ' TRP . 7.8 t0 -88.65 124.01 33.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.4 mt -40.2 161.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -79.18 44.84 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 52' ' ' ASP . 68.9 mtp180 -116.11 124.14 49.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 51' ' ' ARG . 8.0 t0 35.26 45.82 0.22 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.596 ' CD2' ' O ' ' A' ' 53' ' ' PHE . 30.1 p90 -95.48 106.89 29.55 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.64 0.734 . . . . 0.0 110.929 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' ' 53' ' ' PHE . 53.7 Cg_endo -69.75 -169.36 0.32 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.666 2.244 . . . . 0.0 112.379 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 45.2 t -117.44 132.28 23.63 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.609 0.719 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 1.86 4.11 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.671 2.247 . . . . 0.0 112.309 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.437 ' O ' ' C ' ' A' ' 58' ' ' CYS . 43.1 t -116.96 -67.16 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.142 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.437 ' C ' ' O ' ' A' ' 57' ' ' VAL . 95.1 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -142.27 166.62 24.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 110.863 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 t -160.51 158.79 29.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.77 -73.2 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.498 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.6 m -120.41 123.35 42.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.818 0.342 . . . . 0.0 110.864 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -115.77 155.47 27.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.89 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.99 68.48 0.48 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.3 148.31 27.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.865 0.364 . . . . 0.0 111.076 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.4 mt -87.37 134.31 33.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.952 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -95.38 82.15 3.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -168.22 131.78 1.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.1 mp -93.18 42.89 1.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 55.38 46.1 24.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.953 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.4 t -88.67 33.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.445 ' HG3' ' N ' ' A' ' 16' ' ' ALA . 24.2 tp10 -85.91 158.54 19.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.445 ' N ' ' HG3' ' A' ' 15' ' ' GLU . . . -38.61 146.16 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 85.1 p -165.44 152.23 10.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.833 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.6 t -53.73 160.46 1.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.4 m -101.5 -3.85 27.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.7 t -113.18 -55.31 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.159 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.477 ' O ' ' N ' ' A' ' 23' ' ' GLU . 24.6 p -102.63 15.58 28.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.51 ' N ' HD22 ' A' ' 22' ' ' LEU . 3.0 mm? 34.01 34.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 21' ' ' CYS . 36.5 tt0 -73.4 148.99 42.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -89.37 122.33 32.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.35 159.5 41.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.0 tppt? -87.93 -46.02 9.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.4 tp10 -126.39 84.15 62.73 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.69 0.757 . . . . 0.0 110.932 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.406 ' HG3' ' HB1' ' A' ' 16' ' ' ALA . 53.5 Cg_endo -69.75 155.82 64.97 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.679 2.253 . . . . 0.0 112.356 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.0 t -80.96 102.78 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.134 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.529 ' CD1' ' ND2' ' A' ' 36' ' ' ASN . 36.5 mm -94.33 116.44 35.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.185 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.4 pt -95.2 -175.29 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.177 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -51.38 -42.79 61.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.24 -35.08 79.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.86 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.524 ' O ' HG23 ' A' ' 30' ' ' ILE . . . 112.1 -50.23 0.79 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.472 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 34' ' ' GLY . 47.6 m170 -34.65 142.56 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.819 0.342 . . . . 0.0 110.858 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.701 ' N ' HD22 ' A' ' 36' ' ' ASN . 0.7 OUTLIER -89.17 154.72 19.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -155.09 139.99 17.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.618 ' O ' HG22 ' A' ' 42' ' ' ILE . 14.5 p -91.45 151.73 20.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.481 ' HA ' ' CG2' ' A' ' 42' ' ' ILE . 6.3 mtmp? -48.79 -37.85 20.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.443 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . . . -61.58 -31.19 71.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.086 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 42' ' ' ILE . 56.4 m -94.78 -68.72 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.618 HG22 ' O ' ' A' ' 38' ' ' CYS . 6.0 tp -37.4 -39.92 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.088 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.497 HG23 ' N ' ' A' ' 44' ' ' ARG . 5.9 t -46.97 -47.94 21.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.497 ' N ' HG23 ' A' ' 43' ' ' THR . 24.9 ttm180 -58.02 -43.22 86.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.475 ' CD1' ' HB2' ' A' ' 53' ' ' PHE . 9.6 t-105 -90.36 22.95 3.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.44 ' O ' ' C ' ' A' ' 47' ' ' GLU . 1.7 t90 -110.93 -45.19 3.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 46' ' ' TRP . 11.8 tt0 -35.47 -36.66 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -90.61 56.86 3.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.854 ' O ' HD22 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -81.48 11.07 4.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.899 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -79.25 -57.88 3.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.427 ' HD2' ' N ' ' A' ' 51' ' ' ARG . 2.6 mpt_? -106.44 153.76 21.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -49.24 100.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.475 ' HB2' ' CD1' ' A' ' 45' ' ' TRP . 19.7 p90 -72.4 113.02 17.17 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.665 0.745 . . . . 0.0 110.875 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 114.75 3.81 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.698 2.265 . . . . 0.0 112.353 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 36.9 t -39.41 135.07 1.17 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.674 0.75 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 -42.0 3.7 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.655 2.237 . . . . 0.0 112.301 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.445 ' O ' ' C ' ' A' ' 58' ' ' CYS . 45.8 t -62.47 -66.9 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.109 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.445 ' C ' ' O ' ' A' ' 57' ' ' VAL . 85.8 m . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 m -161.61 157.34 24.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.835 0.35 . . . . 0.0 110.851 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -162.17 147.92 13.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.852 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.29 130.7 2.22 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.48 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.8 p -141.61 125.88 17.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.927 0.394 . . . . 0.0 110.842 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.2 m -147.23 128.38 14.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.829 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.85 140.69 6.61 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.488 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -155.39 142.75 19.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.795 0.331 . . . . 0.0 111.113 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.3 mp -79.0 142.74 36.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.95 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -85.85 -25.02 26.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.926 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -150.57 137.36 19.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.777 ' O ' HD12 ' A' ' 12' ' ' LEU . 3.8 pp -83.43 44.28 0.95 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.914 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -118.45 140.08 50.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.8 t -110.09 141.33 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 16' ' ' ALA . 6.6 mm-40 -76.01 137.45 40.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 15' ' ' GLU . . . -34.54 144.22 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.091 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.1 m -165.04 158.71 17.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.6 t -56.57 167.09 0.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 73.3 m -103.34 -27.99 12.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.619 ' O ' HD23 ' A' ' 22' ' ' LEU . 79.1 t -88.34 -64.47 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.153 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.488 ' C ' HD23 ' A' ' 22' ' ' LEU . 29.9 p -86.58 1.22 52.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.63 HD23 ' N ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER 34.38 51.6 0.46 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -100.2 148.67 24.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -81.93 123.54 28.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.924 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.716 HD21 ' HB3' ' A' ' 38' ' ' CYS . 0.2 OUTLIER -129.55 161.35 30.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.1 mmtp -96.45 -36.62 10.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -129.69 72.76 81.89 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.648 0.737 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -172.96 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.694 2.263 . . . . 0.0 112.345 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.8 t -127.25 101.17 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.2 mp -95.51 85.42 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.178 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.418 HD11 ' SG ' ' A' ' 33' ' ' CYS . 39.7 pt -51.74 -174.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -80.72 40.28 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.418 ' SG ' HD11 ' A' ' 31' ' ' ILE . 0.7 OUTLIER -128.4 -31.46 2.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 117.46 -51.73 0.72 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -51.25 169.42 0.05 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.778 0.323 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -111.01 151.84 27.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -153.86 138.76 17.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.716 ' HB3' HD21 ' A' ' 25' ' ' LEU . 31.8 p -95.45 147.05 23.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 38' ' ' CYS . 3.3 tptt -33.33 -42.7 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.08 -67.87 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 81.2 m -57.3 -65.26 0.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.591 HG22 ' O ' ' A' ' 38' ' ' CYS . 9.4 tp -39.1 -32.28 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.186 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 45' ' ' TRP . 3.1 m -76.51 -61.61 1.9 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.138 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -40.71 -25.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.453 ' N ' ' O ' ' A' ' 43' ' ' THR . 4.9 t-105 -101.29 -34.16 9.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.934 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.54 ' O ' ' CG ' ' A' ' 46' ' ' TRP . 19.8 t90 -93.03 31.82 1.37 Allowed 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -76.35 -62.64 1.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -74.15 107.18 6.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -59.73 -54.94 40.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 51' ' ' ARG . 2.5 tp10 -39.09 -62.09 0.68 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 51' ' ' ARG . 9.5 ttp-105 -36.05 144.71 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.851 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -130.63 34.29 4.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.564 ' CD1' ' HD2' ' A' ' 54' ' ' PRO . 2.6 t80 -78.41 134.35 62.47 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.708 0.766 . . . . 0.0 110.847 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.564 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 54.0 Cg_endo -69.76 177.84 5.17 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.671 2.247 . . . . 0.0 112.404 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 41.4 t -45.45 134.87 5.84 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.629 0.728 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 -27.61 25.87 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.657 2.238 . . . . 0.0 112.294 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.8 t -79.7 -63.39 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.1 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 87.3 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.95 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.4 p -151.71 159.32 44.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.886 0.374 . . . . 0.0 110.86 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.8 p -134.07 144.84 48.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.788 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.441 ' HA2' HD21 ' A' ' 9' ' ' LEU . . . -125.27 147.2 16.46 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.515 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -139.61 169.83 17.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.846 0.355 . . . . 0.0 110.888 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -47.3 103.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.91 -148.07 51.28 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.44 166.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.821 0.343 . . . . 0.0 111.099 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.441 HD21 ' HA2' ' A' ' 4' ' ' GLY . 6.6 mp -125.23 165.58 18.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.945 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -116.71 91.12 3.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -149.15 142.78 25.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.5 mt -144.43 146.04 32.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.929 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -124.64 42.9 3.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 66.9 t -44.8 137.71 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -131.02 152.4 50.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.616 ' HB1' ' HG3' ' A' ' 28' ' ' PRO . . . -119.65 31.04 6.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.097 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.6 m -63.2 154.73 30.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.0 t -53.52 166.4 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.1 p -100.23 -32.81 10.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.7 t -81.88 -74.31 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.153 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.6 p -71.48 -14.14 62.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 39.9 mt 53.49 52.96 12.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -109.1 149.26 29.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -83.21 124.86 30.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.968 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.456 HD21 ' CB ' ' A' ' 38' ' ' CYS . 1.0 OUTLIER -129.78 160.62 32.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.7 mttm -84.02 -42.31 16.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -130.47 81.1 68.87 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.627 0.727 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.616 ' HG3' ' HB1' ' A' ' 16' ' ' ALA . 53.2 Cg_endo -69.78 145.65 57.69 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.656 2.237 . . . . 0.0 112.312 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.9 t -79.28 92.8 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 25.9 mt -82.33 105.94 12.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.441 HD11 ' SG ' ' A' ' 55' ' ' CYS . 30.5 pt -69.83 -174.78 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -81.38 40.71 0.58 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.431 ' HB3' HD11 ' A' ' 31' ' ' ILE . 5.9 t -133.89 -48.72 0.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 133.41 -28.91 3.23 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.461 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 23.7 m80 -62.78 166.42 5.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.793 0.33 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -103.02 142.31 34.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -149.53 134.49 17.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.825 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.456 ' CB ' HD21 ' A' ' 25' ' ' LEU . 17.1 p -97.81 156.89 16.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.7 ptpp? -52.58 -37.04 57.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.31 -30.21 70.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.093 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 42' ' ' ILE . 56.9 m -93.47 -72.47 0.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.416 HG22 ' O ' ' A' ' 38' ' ' CYS . 8.7 tp -36.17 -35.41 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 99.6 m -73.21 -64.03 1.06 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -49.74 -31.47 11.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 7.8 t-105 -88.2 22.91 2.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.633 ' HE1' HD21 ' A' ' 49' ' ' LEU . 1.8 t90 -114.94 -41.14 3.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.936 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 46' ' ' TRP . 20.9 tp10 -34.3 -43.66 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -83.77 83.93 7.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.633 HD21 ' HE1' ' A' ' 46' ' ' TRP . 18.7 mt -81.92 40.07 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -104.13 -49.33 3.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -53.06 -58.58 6.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 61.84 45.51 7.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -99.53 148.93 35.37 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.679 0.752 . . . . 0.0 110.876 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -20.81 34.42 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.702 2.268 . . . . 0.0 112.327 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.471 ' SG ' ' CG2' ' A' ' 57' ' ' VAL . 13.2 t -169.17 119.17 0.6 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.62 0.724 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -52.71 0.31 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.673 2.249 . . . . 0.0 112.297 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.471 ' CG2' ' SG ' ' A' ' 55' ' ' CYS . 4.2 m -49.56 -36.28 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.164 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 6.5 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.6 p -98.13 -54.6 3.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.839 0.352 . . . . 0.0 110.844 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.1 p -155.82 148.28 23.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.13 110.6 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.6 p -132.99 112.99 12.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.853 0.358 . . . . 0.0 110.857 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.2 m -139.06 165.27 27.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.88 91.94 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.527 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -135.37 108.26 7.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.844 0.354 . . . . 0.0 111.069 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.9 mt -97.54 117.27 31.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -102.93 104.71 14.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -112.38 124.61 52.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.9 mp -125.64 105.32 8.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -72.53 141.35 48.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.524 ' O ' HG12 ' A' ' 14' ' ' VAL . 9.5 t -102.19 32.58 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -119.68 168.6 10.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -103.56 178.87 4.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.091 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 86.7 p -173.07 147.4 1.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.5 t -48.4 167.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.4 m -107.14 -39.82 5.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.0 t -70.48 -65.29 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.12 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 32.0 p -82.19 -19.81 39.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 76.3 mt 58.8 50.16 9.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.422 ' HG2' ' N ' ' A' ' 24' ' ' TYR . 20.9 tt0 -101.01 149.12 24.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.422 ' N ' ' HG2' ' A' ' 23' ' ' GLU . 68.3 t80 -82.7 124.1 29.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.91 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.424 HD21 ' HB3' ' A' ' 38' ' ' CYS . 0.5 OUTLIER -132.0 144.46 50.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.952 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -70.27 -46.63 63.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -130.57 75.64 78.63 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.625 0.726 . . . . 0.0 110.857 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 163.39 38.44 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.663 2.242 . . . . 0.0 112.396 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.5 t -73.68 92.25 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.481 HG12 ' ND2' ' A' ' 36' ' ' ASN . 63.2 mt -93.58 80.09 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.2 pt -61.91 -177.47 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -81.99 39.1 0.55 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -123.33 -37.02 2.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 125.47 -53.78 0.77 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.533 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -57.71 174.77 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.823 0.344 . . . . 0.0 110.853 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.509 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 9.3 m120 -127.02 153.38 46.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.509 ' CD1' ' O ' ' A' ' 36' ' ' ASN . 50.0 m-85 -154.06 145.42 23.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.529 ' SG ' ' HB3' ' A' ' 40' ' ' ALA . 27.7 p -94.22 149.98 20.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm -46.16 -20.5 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.529 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . . . -80.65 -37.65 30.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.117 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 89.6 m -95.87 -61.04 1.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.442 ' CG1' ' HB2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -42.13 -32.15 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.459 HG23 ' N ' ' A' ' 44' ' ' ARG . 10.1 t -61.71 -44.08 97.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.172 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.459 ' N ' HG23 ' A' ' 43' ' ' THR . 47.0 ttt180 -48.86 -59.23 3.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.441 ' CG ' ' HD3' ' A' ' 56' ' ' PRO . 15.8 t-105 -62.03 -30.43 70.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.458 ' O ' ' C ' ' A' ' 47' ' ' GLU . 2.5 t90 -66.28 -47.42 73.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.946 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -33.64 119.13 0.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 50' ' ' GLU . 13.2 t70 63.87 52.49 2.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.728 HD23 ' H ' ' A' ' 49' ' ' LEU . 0.4 OUTLIER -43.19 95.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 -179.914 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 48' ' ' ASP . 8.7 pt-20 -125.51 44.07 2.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.3 mtp180 -164.67 148.01 8.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.828 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.89 -45.83 56.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -107.82 79.21 0.83 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.645 0.736 . . . . 0.0 110.863 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 92.78 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.69 2.26 . . . . 0.0 112.341 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 40.6 t -161.05 110.31 1.27 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.692 0.758 . . . . 0.0 110.868 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.441 ' HD3' ' CG ' ' A' ' 45' ' ' TRP . 53.6 Cg_endo -69.8 -2.71 10.66 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.67 2.247 . . . . 0.0 112.356 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 45.4 t -101.4 -40.41 7.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.125 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 10.4 m . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.994 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -156.52 117.55 3.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.874 0.369 . . . . 0.0 110.896 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.6 p -130.13 141.08 50.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.822 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.3 52.29 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.466 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -57.64 97.72 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.843 0.354 . . . . 0.0 110.862 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 m -96.83 93.6 6.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.0 74.78 0.18 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.457 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -115.71 -60.55 1.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.798 0.332 . . . . 0.0 111.074 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.4 mp -99.42 96.78 7.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -133.21 176.71 8.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -123.18 102.61 8.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.919 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.653 HD23 ' H ' ' A' ' 12' ' ' LEU . 1.7 pt? -106.89 40.26 1.69 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.948 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -76.75 169.8 17.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.941 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.5 t -107.0 128.59 61.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.13 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -145.87 114.73 6.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.667 ' HB1' ' HG3' ' A' ' 28' ' ' PRO . . . -52.39 151.72 3.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.6 p -169.68 144.17 2.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.846 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.51 ' O ' HD13 ' A' ' 22' ' ' LEU . 13.2 t -42.74 165.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.84 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.416 ' HB2' ' CE1' ' A' ' 37' ' ' PHE . 2.0 m -102.54 -6.33 22.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.832 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 92.0 t -112.27 -58.06 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.451 ' O ' ' C ' ' A' ' 22' ' ' LEU . 28.4 p -99.6 12.82 35.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.51 ' H ' HD22 ' A' ' 22' ' ' LEU . 3.3 mm? 34.03 41.08 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.925 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -75.7 158.26 32.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -93.61 118.96 32.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.43 HD21 ' HB3' ' A' ' 38' ' ' CYS . 0.2 OUTLIER -135.03 136.9 42.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.947 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.423 ' HG2' ' N ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -68.26 -34.86 76.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 179.779 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.423 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 5.5 pt-20 -131.62 81.34 64.31 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.648 0.737 . . . . 0.0 110.909 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.667 ' HG3' ' HB1' ' A' ' 16' ' ' ALA . 53.5 Cg_endo -69.71 142.21 47.52 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.717 2.278 . . . . 0.0 112.356 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.5 t -67.93 91.34 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.122 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.427 ' O ' HG22 ' A' ' 30' ' ' ILE . 40.5 mt -91.15 81.35 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.13 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.505 HD11 ' SG ' ' A' ' 33' ' ' CYS . 33.0 pt -56.69 -175.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.48 36.35 0.53 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.505 ' SG ' HD11 ' A' ' 31' ' ' ILE . 1.2 p -119.33 -43.39 2.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.478 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . 113.06 45.92 0.73 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.508 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -146.92 176.97 9.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.793 0.33 . . . . 0.0 110.843 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -118.19 141.62 48.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.416 ' CE1' ' HB2' ' A' ' 19' ' ' SER . 77.7 m-85 -155.14 136.67 14.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.616 ' O ' HG22 ' A' ' 42' ' ' ILE . 14.8 p -93.56 151.68 19.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.479 ' HA ' ' CG2' ' A' ' 42' ' ' ILE . 2.7 mptp? -43.98 -45.96 8.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.92 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.83 -36.87 67.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 60.9 m -89.02 -69.94 0.68 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.616 HG22 ' O ' ' A' ' 38' ' ' CYS . 8.0 tp -36.86 -35.69 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.092 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 100.0 m -72.65 -49.35 32.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.14 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.51 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -51.07 -23.44 3.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 4.7 t-105 -108.83 -19.9 13.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.53 ' O ' ' CG ' ' A' ' 46' ' ' TRP . 19.9 t90 -105.59 40.1 1.62 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -63.43 -64.11 1.0 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.402 ' C ' ' N ' ' A' ' 50' ' ' GLU . 2.3 m-20 -109.52 137.73 46.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.846 HD22 ' N ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -45.94 -20.43 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.928 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.846 ' N ' HD22 ' A' ' 49' ' ' LEU . 7.0 tt0 -128.44 69.82 1.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -110.67 -53.19 2.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 53' ' ' PHE . 5.1 m-20 -171.49 179.62 2.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.824 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.444 ' C ' ' O ' ' A' ' 52' ' ' ASP . 18.8 m-85 -35.01 152.51 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.598 0.714 . . . . 0.0 110.89 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -6.91 19.73 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.717 2.278 . . . . 0.0 112.372 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 53.9 t -160.62 123.11 1.81 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.634 0.73 . . . . 0.0 110.859 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -42.34 3.49 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.654 2.236 . . . . 0.0 112.378 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.411 HG21 ' HB3' ' A' ' 19' ' ' SER . 91.6 t -59.05 -41.84 84.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 13.1 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.7 m -104.41 114.52 28.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.872 0.368 . . . . 0.0 110.811 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -69.38 -54.89 12.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.15 -146.39 36.23 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.48 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.7 t -165.23 129.64 2.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.88 0.372 . . . . 0.0 110.862 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 t -108.05 42.1 1.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.69 41.0 3.98 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.471 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.95 83.74 2.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.785 0.326 . . . . 0.0 111.081 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 tp -141.5 125.29 16.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -59.9 131.98 52.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -115.11 123.26 48.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 66.2 tp -110.86 82.1 1.54 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -150.41 139.5 21.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.5 p -110.66 144.04 19.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -148.05 137.74 22.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.778 ' HB1' ' HG3' ' A' ' 28' ' ' PRO . . . -71.48 150.51 44.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.073 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 99.7 p -174.27 154.42 2.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.6 t -62.89 165.9 6.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.9 p -102.38 -34.85 9.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.7 t -77.59 -73.03 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.123 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.5 p -72.58 -16.86 61.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 64.8 mt 56.79 53.06 8.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -108.07 156.25 19.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -89.68 121.86 32.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.564 HD21 ' CB ' ' A' ' 38' ' ' CYS . 1.3 mp -127.09 138.51 53.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.5 ptmt -63.05 -42.13 99.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -134.76 82.21 44.86 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.683 0.754 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.778 ' HG3' ' HB1' ' A' ' 16' ' ' ALA . 53.4 Cg_endo -69.83 156.66 62.61 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.69 2.26 . . . . 0.0 112.319 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 66.0 t -80.68 121.89 34.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.622 HD12 ' O ' ' A' ' 28' ' ' PRO . 5.3 mp -113.82 100.31 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.439 HD11 ' SG ' ' A' ' 33' ' ' CYS . 39.3 pt -76.65 179.13 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.11 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -46.34 -46.33 18.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.439 ' SG ' HD11 ' A' ' 31' ' ' ILE . 1.0 OUTLIER -60.98 -35.99 78.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.515 ' O ' HG23 ' A' ' 30' ' ' ILE . . . 113.04 -48.25 0.96 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.455 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.479 ' C ' ' O ' ' A' ' 34' ' ' GLY . 66.4 m170 -32.1 135.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.823 0.344 . . . . 0.0 110.83 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -80.2 151.3 29.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -155.85 142.57 18.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.67 ' O ' HG22 ' A' ' 42' ' ' ILE . 19.3 p -99.3 152.6 19.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.938 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.448 ' HA ' ' CG2' ' A' ' 42' ' ' ILE . 38.5 mmtt -46.4 -35.84 5.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.455 ' C ' HG22 ' A' ' 43' ' ' THR . . . -64.38 -37.14 86.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 43' ' ' THR . 86.4 m -95.47 -64.38 1.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.67 HG22 ' O ' ' A' ' 38' ' ' CYS . 5.4 tp -38.64 -26.29 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.138 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.492 ' N ' ' O ' ' A' ' 41' ' ' CYS . 4.7 t -66.04 -46.14 78.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.203 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.455 ' N ' HG23 ' A' ' 43' ' ' THR . 38.0 ttt180 -49.26 -57.36 6.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.561 ' CD1' ' HD3' ' A' ' 56' ' ' PRO . 9.7 t-105 -73.74 -49.06 27.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.584 ' HE1' HD23 ' A' ' 49' ' ' LEU . 5.0 t90 -78.62 45.42 0.58 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.946 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -72.81 -34.27 66.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -158.55 105.5 1.85 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 1.021 HD12 ' N ' ' A' ' 50' ' ' GLU . 0.2 OUTLIER -103.68 123.37 46.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 1.021 ' N ' HD12 ' A' ' 49' ' ' LEU . 7.3 mm-40 -126.53 -59.33 1.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 80.7 mtm-85 -132.36 -45.76 0.91 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.407 ' C ' ' HD3' ' A' ' 54' ' ' PRO . 10.5 m-20 -92.29 113.41 25.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -115.9 62.71 2.13 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.642 0.734 . . . . 0.0 110.911 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.407 ' HD3' ' C ' ' A' ' 52' ' ' ASP . 53.4 Cg_endo -69.82 173.84 10.44 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.628 2.219 . . . . 0.0 112.318 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 30.6 t -122.54 137.73 28.24 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.644 0.735 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.561 ' HD3' ' CD1' ' A' ' 45' ' ' TRP . 53.2 Cg_endo -69.8 -46.41 1.22 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.666 2.244 . . . . 0.0 112.335 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.427 ' HB ' ' ND1' ' A' ' 35' ' ' HIS . 59.3 t -60.95 -45.17 98.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.207 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 75.9 m . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.858 179.993 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -87.59 -51.81 5.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.895 0.378 . . . . 0.0 110.846 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.1 p -62.82 142.04 58.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -42.55 -91.65 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.469 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.3 p -132.78 96.8 3.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.852 0.358 . . . . 0.0 110.854 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.4 t -104.66 93.35 4.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.85 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.1 134.28 3.14 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.502 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.58 -66.14 0.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.848 0.356 . . . . 0.0 111.054 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.4 mt -139.79 115.11 9.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -75.95 108.67 8.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 49.8 p30 -166.28 166.55 16.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 pp -155.39 -179.78 8.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -139.83 155.8 47.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.457 HG12 ' N ' ' A' ' 15' ' ' GLU . 95.9 t -138.32 155.07 28.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.165 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.457 ' N ' HG12 ' A' ' 14' ' ' VAL . 36.9 tt0 -125.82 159.55 32.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.416 ' N ' ' HG2' ' A' ' 15' ' ' GLU . . . -46.12 136.86 6.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.7 m -157.51 148.46 21.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.2 t -47.65 166.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.0 m -104.51 -34.98 8.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 64.9 t -77.0 -70.79 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.124 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.3 p -76.17 -16.03 59.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.7 mt 55.72 49.04 17.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -98.01 159.8 14.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -95.01 121.23 36.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.962 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.46 160.86 31.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.466 ' N ' ' HD2' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -84.31 -44.11 14.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.839 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -131.23 78.42 72.52 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.643 0.735 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -177.82 2.06 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.678 2.252 . . . . 0.0 112.375 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 43.1 t -108.7 119.62 58.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.443 ' N ' HD12 ' A' ' 30' ' ' ILE . 4.9 mp -109.22 138.37 36.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 42.3 pt -113.33 175.8 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -43.2 -45.78 5.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 9.9 t -60.35 -50.03 75.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 128.53 -40.92 1.64 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.467 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 28.8 m170 -39.69 142.83 0.28 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.839 0.352 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -89.88 150.54 22.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -153.26 137.48 16.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.545 ' SG ' ' HB3' ' A' ' 40' ' ' ALA . 18.1 p -91.58 150.74 21.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.415 ' HA ' HG22 ' A' ' 42' ' ' ILE . 9.8 tppt? -52.09 -20.35 2.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.545 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . . . -78.48 -31.21 47.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.08 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 59.7 m -95.11 -58.24 2.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.447 HG22 ' O ' ' A' ' 38' ' ' CYS . 10.6 tp -48.12 -25.36 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.477 HG22 ' C ' ' A' ' 40' ' ' ALA . 6.4 t -64.89 -39.25 93.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.164 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 30.0 ttt85 -57.82 -37.13 73.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 8.2 t-105 -100.01 -10.35 21.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.421 ' CG ' ' O ' ' A' ' 46' ' ' TRP . 22.8 t90 -107.85 42.05 1.42 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.919 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -86.38 -40.08 15.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.854 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 49' ' ' LEU . 1.9 m-20 -90.09 -176.24 4.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.859 HD13 ' H ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -48.02 177.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.957 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -117.18 54.35 0.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.425 ' HB3' ' NH1' ' A' ' 51' ' ' ARG . 5.2 mmm180 -54.49 -38.43 66.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.437 ' C ' ' HD3' ' A' ' 54' ' ' PRO . 1.4 p-10 -157.95 -178.87 7.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -112.54 65.57 0.83 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.689 0.756 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.437 ' HD3' ' C ' ' A' ' 52' ' ' ASP . 53.9 Cg_endo -69.76 98.29 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.662 2.242 . . . . 0.0 112.334 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 11.7 t -56.69 112.11 4.12 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.64 0.733 . . . . 0.0 110.829 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -50.81 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.672 2.248 . . . . 0.0 112.403 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.421 HG13 ' N ' ' A' ' 58' ' ' CYS . 7.4 p -51.88 -42.12 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.141 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.421 ' N ' HG13 ' A' ' 57' ' ' VAL . 1.8 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.9 p -82.7 48.7 1.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.913 0.387 . . . . 0.0 110.813 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.2 t 64.26 43.59 4.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 43.01 -153.07 0.23 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.486 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.5 p -81.19 176.71 9.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.878 0.371 . . . . 0.0 110.888 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.1 t -145.68 155.92 43.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.53 149.2 28.9 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.517 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -125.95 -57.87 1.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.759 0.314 . . . . 0.0 111.098 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 73.0 mt -78.83 -60.24 2.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -58.51 171.37 0.62 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -95.29 -59.64 1.84 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.919 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.0 mt -144.52 133.63 22.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.923 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 pm0 -96.09 138.9 33.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.3 p -91.83 148.68 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.147 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -147.67 126.01 12.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.25 152.43 17.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.085 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.9 p -170.95 155.55 4.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.407 ' O ' HD13 ' A' ' 22' ' ' LEU . 11.1 t -52.29 167.77 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 80.8 p -106.03 -12.66 15.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.1 t -104.25 -48.04 9.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.12 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 22' ' ' LEU . 21.8 p -109.54 12.33 24.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.509 HD22 ' H ' ' A' ' 22' ' ' LEU . 3.3 mm? 33.98 40.38 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -74.17 150.99 40.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -89.65 102.91 15.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.94 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -118.19 155.24 30.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.2 mttm -81.0 -43.88 18.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -133.82 80.22 55.98 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.667 0.746 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 147.6 63.54 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.675 2.25 . . . . 0.0 112.379 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.4 t -70.2 91.14 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.117 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.401 ' O ' ' O ' ' A' ' 31' ' ' ILE . 37.9 mt -88.02 83.7 2.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.152 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.401 ' O ' ' O ' ' A' ' 30' ' ' ILE . 43.4 pt -50.69 -176.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.119 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.67 41.57 0.49 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -128.15 -33.0 2.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.849 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.74 -52.57 0.74 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.483 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 34.5 m80 -53.23 179.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.795 0.331 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.424 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 2.4 m-80 -123.57 158.65 30.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.424 ' CD1' ' C ' ' A' ' 36' ' ' ASN . 83.7 m-85 -155.76 145.84 21.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.832 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.463 ' SG ' ' HB3' ' A' ' 40' ' ' ALA . 15.8 p -99.95 150.8 22.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 42.8 mmtt -45.84 -35.93 4.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.463 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . . . -65.18 -32.82 74.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 42' ' ' ILE . 53.6 m -90.42 -70.03 0.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.469 HG23 ' N ' ' A' ' 43' ' ' THR . 6.7 tp -36.37 -42.26 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.124 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.5 HG23 ' N ' ' A' ' 44' ' ' ARG . 9.7 t -51.33 -45.64 62.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.09 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.5 ' N ' HG23 ' A' ' 43' ' ' THR . 29.2 ttp180 -48.79 -56.42 8.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 5.9 t-105 -67.87 -53.14 28.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.486 ' O ' ' C ' ' A' ' 47' ' ' GLU . 2.4 t90 -41.56 -47.77 3.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.936 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 46' ' ' TRP . 1.2 tm-20 -29.38 -46.92 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.87 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -81.5 113.02 19.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.3 mp -75.71 48.61 0.47 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -83.43 -44.93 14.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.852 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.7 mmm180 50.12 24.97 1.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -97.64 -45.47 6.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -75.97 130.33 78.61 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.681 0.753 . . . . 0.0 110.875 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -41.49 4.24 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.714 2.276 . . . . 0.0 112.326 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 43.3 t -175.05 136.85 0.55 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.603 0.716 . . . . 0.0 110.845 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -31.11 20.83 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.29 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 63.6 t -77.98 -50.09 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.123 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 72.2 m . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.98 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.0 m -128.29 154.28 46.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.873 0.368 . . . . 0.0 110.842 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 t -77.98 -45.62 23.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.849 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.93 178.01 41.21 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.496 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.0 t -158.86 128.77 5.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.904 0.383 . . . . 0.0 110.87 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.3 m -126.87 -45.39 1.59 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.66 -66.27 0.49 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.451 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -115.22 114.92 25.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.812 0.339 . . . . 0.0 111.149 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.799 HD23 ' H ' ' A' ' 9' ' ' LEU . 0.6 OUTLIER -69.42 110.14 4.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -84.79 114.7 22.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -127.45 157.13 40.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.0 mp -121.47 108.07 13.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -101.16 41.37 1.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.573 ' O ' HG12 ' A' ' 14' ' ' VAL . 16.5 t 64.53 36.49 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.102 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -74.46 146.16 43.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.445 ' HB1' ' CG ' ' A' ' 28' ' ' PRO . . . -88.28 128.93 35.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.112 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.7 m -148.1 139.66 23.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.7 t -45.49 167.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 94.3 p -102.45 -41.41 6.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.4 t -70.25 -69.87 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.137 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.1 p -74.31 -19.09 60.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 76.7 mt 59.33 50.72 7.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -113.5 148.67 35.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.84 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -86.51 121.62 29.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.577 HD13 ' HB3' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -125.23 171.14 10.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.918 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.63 101.97 13.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.438 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 16.3 tp10 75.02 54.93 0.24 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.572 0.701 . . . . 0.0 110.919 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.577 ' HB3' HD13 ' A' ' 25' ' ' LEU . 53.7 Cg_endo -69.75 159.91 51.67 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.71 2.274 . . . . 0.0 112.349 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.1 t -61.62 117.71 3.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.191 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 44.3 mt -119.3 80.83 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 31.1 pt -63.39 161.84 2.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.127 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -42.34 -47.98 4.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 31.0 t -41.71 -44.69 3.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 118.48 -33.18 4.93 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.415 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.445 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 33.5 m170 -58.61 151.39 20.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.81 0.338 . . . . 0.0 110.863 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 -98.45 149.41 22.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.445 ' CZ ' ' HB2' ' A' ' 35' ' ' HIS . 19.0 m-85 -153.15 138.44 17.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.599 ' O ' HG22 ' A' ' 42' ' ' ILE . 14.3 p -101.35 148.46 25.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.921 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.472 ' HA ' ' CG2' ' A' ' 42' ' ' ILE . 36.8 mmtm -44.99 -40.13 6.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.445 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . . . -59.47 -35.4 74.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 42' ' ' ILE . 67.1 m -93.26 -69.15 0.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.599 HG22 ' O ' ' A' ' 38' ' ' CYS . 4.4 tp -36.02 -39.78 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.174 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.471 HG23 ' N ' ' A' ' 44' ' ' ARG . 3.5 t -44.8 -49.08 10.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.08 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.471 ' N ' HG23 ' A' ' 43' ' ' THR . 0.1 OUTLIER -54.02 -47.79 71.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.529 ' CD1' ' HD3' ' A' ' 56' ' ' PRO . 9.1 t-105 -85.49 25.12 1.08 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.936 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.455 ' O ' ' C ' ' A' ' 47' ' ' GLU . 2.2 t90 -126.06 -46.57 1.66 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.959 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 46' ' ' TRP . 11.2 tt0 -33.5 -45.69 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.6 p-10 -86.47 86.11 7.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.1 mt -70.41 92.08 0.79 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -122.15 -62.83 1.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 86.6 mtt-85 -86.85 177.24 7.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.48 -55.53 3.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.831 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.563 ' CD2' ' O ' ' A' ' 53' ' ' PHE . 24.6 p90 -123.71 66.71 38.02 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.667 0.746 . . . . 0.0 110.869 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.508 ' HB2' ' CD1' ' A' ' 45' ' ' TRP . 54.1 Cg_endo -69.73 148.86 66.19 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.64 2.227 . . . . 0.0 112.37 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 11.6 t -139.21 109.49 7.56 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.625 0.726 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.529 ' HD3' ' CD1' ' A' ' 45' ' ' TRP . 53.6 Cg_endo -69.78 -51.06 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.686 2.257 . . . . 0.0 112.348 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.5 p -50.45 -39.11 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.97 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.2 m -64.99 126.43 28.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.914 0.388 . . . . 0.0 110.811 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.3 p -106.65 139.08 41.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.89 -117.11 0.78 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.478 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.6 t -155.08 147.85 24.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.899 0.38 . . . . 0.0 110.894 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.5 m -152.76 155.07 36.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.91 137.79 8.69 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.48 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -131.92 83.88 2.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 0.0 111.135 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.1 tp -109.82 97.33 6.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -128.06 100.6 5.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 54.2 m-20 -60.7 138.26 58.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -92.1 33.86 1.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -100.53 136.81 39.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.941 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 85.2 t -113.37 136.48 49.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -112.96 147.04 37.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.524 ' HB3' ' HG3' ' A' ' 28' ' ' PRO . . . -67.45 172.4 5.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.118 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 82.7 p -167.02 158.31 12.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.837 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.9 t -61.74 168.79 2.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.3 m -105.28 -40.92 5.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.9 t -70.46 -67.84 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.139 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.4 p -79.74 -25.67 41.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.3 mt 66.21 54.65 0.94 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.478 ' O ' HD12 ' A' ' 25' ' ' LEU . 15.9 tp10 -104.6 152.87 21.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.448 ' N ' ' HG3' ' A' ' 23' ' ' GLU . 20.3 m-85 -85.1 121.11 27.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.93 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.478 HD12 ' O ' ' A' ' 23' ' ' GLU . 1.4 mp -129.71 142.8 50.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.91 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -68.83 -41.44 78.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -134.78 79.36 52.63 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.665 0.745 . . . . 0.0 110.862 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.524 ' HG3' ' HB3' ' A' ' 16' ' ' ALA . 53.9 Cg_endo -69.78 151.46 68.95 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.711 2.274 . . . . 0.0 112.343 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.576 HG11 HG13 ' A' ' 42' ' ' ILE . 91.4 t -66.35 85.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.087 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 24.5 mt -88.68 82.51 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.459 HD11 ' SG ' ' A' ' 33' ' ' CYS . 44.9 pt -66.33 -176.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -81.38 39.82 0.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.459 ' SG ' HD11 ' A' ' 31' ' ' ILE . 0.8 OUTLIER -125.18 -35.82 2.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.911 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.3 -51.63 0.78 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.5 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -59.53 167.26 2.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.594 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 44.4 m-20 -118.05 152.46 35.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.594 ' CD1' ' O ' ' A' ' 36' ' ' ASN . 38.2 m-85 -153.49 139.81 18.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 41' ' ' CYS . 31.3 p -92.17 152.58 19.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.3 mmmm -42.5 -28.92 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.968 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.402 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . . . -76.56 -36.54 57.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.073 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.463 ' N ' ' O ' ' A' ' 38' ' ' CYS . 84.8 m -93.67 -65.82 0.96 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.576 HG13 HG11 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -36.98 -45.52 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.148 179.913 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.536 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 77.3 m -59.92 -50.25 74.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.125 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -40.49 -39.48 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.507 ' CD1' ' HD3' ' A' ' 56' ' ' PRO . 6.9 t-105 -88.35 -47.4 8.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.521 ' CG ' ' O ' ' A' ' 46' ' ' TRP . 24.4 t90 -82.89 38.0 0.56 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.65 -51.87 5.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.93 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -80.14 139.57 36.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -49.97 114.26 1.05 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.414 ' CB ' ' HG3' ' A' ' 54' ' ' PRO . 5.3 mm-40 -127.17 -57.51 1.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 26.8 mtt-85 60.27 25.06 14.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 53' ' ' PHE . 7.0 t0 -127.74 41.1 3.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.448 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 86.2 m-85 35.51 53.8 1.98 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.677 0.751 . . . . 0.0 110.911 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.448 ' CD ' ' N ' ' A' ' 53' ' ' PHE . 53.7 Cg_endo -69.82 126.51 13.36 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.693 2.262 . . . . 0.0 112.331 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 45.6 t -125.65 130.55 24.03 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.593 0.711 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.507 ' HD3' ' CD1' ' A' ' 45' ' ' TRP . 54.1 Cg_endo -69.7 -37.91 8.65 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.671 2.248 . . . . 0.0 112.358 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.454 ' O ' ' C ' ' A' ' 58' ' ' CYS . 45.5 t -71.78 -69.99 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.454 ' C ' ' O ' ' A' ' 57' ' ' VAL . 34.0 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.6 m -69.51 86.81 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.873 0.368 . . . . 0.0 110.851 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 t -117.41 138.64 51.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.4 148.73 18.75 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.462 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.3 p -108.91 -54.61 2.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.854 0.359 . . . . 0.0 110.851 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.5 m -66.61 87.83 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.841 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.74 -162.19 21.48 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.544 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -106.06 111.69 24.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.84 0.353 . . . . 0.0 111.114 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.5 -57.29 12.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -115.42 132.32 56.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -57.61 -56.34 23.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.2 mt -129.21 129.25 44.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -127.55 100.2 5.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.949 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.0 t -133.36 135.01 56.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -138.93 173.49 11.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.709 ' HB1' ' HG3' ' A' ' 28' ' ' PRO . . . -73.3 159.67 33.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.092 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 91.5 p -174.7 152.43 1.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.4 t -54.64 167.42 0.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 t -102.59 -37.45 7.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 80.4 t -75.48 -71.76 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.12 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.5 p -75.53 -26.93 58.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.4 mt 67.47 53.09 0.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.415 ' O ' HD12 ' A' ' 25' ' ' LEU . 41.9 tt0 -98.23 158.09 15.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -88.73 117.21 27.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.415 HD12 ' O ' ' A' ' 23' ' ' GLU . 1.1 mp -129.27 140.83 51.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.96 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.8 tptm -66.65 -41.43 88.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.414 ' HA ' ' HD2' ' A' ' 28' ' ' PRO . 5.0 tp10 -134.21 89.2 28.73 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.65 0.738 . . . . 0.0 110.85 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.709 ' HG3' ' HB1' ' A' ' 16' ' ' ALA . 54.2 Cg_endo -69.7 147.4 63.15 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.682 2.255 . . . . 0.0 112.367 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.2 t -75.98 87.81 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.138 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.1 mt -74.76 105.66 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 40.0 pt -78.87 175.16 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.154 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -46.96 -47.13 21.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -56.42 -49.5 74.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 131.35 -40.93 1.57 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.479 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.402 ' ND1' ' CG1' ' A' ' 57' ' ' VAL . 22.9 m170 -45.23 163.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.845 0.355 . . . . 0.0 110.835 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -102.31 152.42 21.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -155.78 130.86 9.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.686 ' O ' HG22 ' A' ' 42' ' ' ILE . 30.3 p -87.39 146.4 25.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.476 ' C ' ' O ' ' A' ' 38' ' ' CYS . 1.4 mptp? -32.27 -42.93 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.83 -59.08 6.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 42' ' ' ILE . 86.7 m -65.76 -67.35 0.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.686 HG22 ' O ' ' A' ' 38' ' ' CYS . 4.2 tp -36.1 -34.2 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.129 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.417 ' N ' ' O ' ' A' ' 41' ' ' CYS . 8.4 m -69.54 -50.92 40.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.149 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 41' ' ' CYS . 7.7 tpt180 -42.57 -40.78 2.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 10.1 t-105 -88.45 -36.09 16.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.93 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.516 ' CG ' ' O ' ' A' ' 46' ' ' TRP . 26.0 t90 -94.87 44.95 1.1 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.419 ' C ' ' OD1' ' A' ' 48' ' ' ASP . 9.3 pt-20 -64.24 -30.68 71.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.937 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.419 ' OD1' ' C ' ' A' ' 47' ' ' GLU . 0.7 OUTLIER -139.72 160.5 39.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.1 mp -84.36 39.0 0.7 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.963 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -128.14 40.71 3.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -40.76 143.1 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -132.95 -45.12 0.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.518 ' CG ' ' HD2' ' A' ' 54' ' ' PRO . 3.3 t80 -104.05 140.91 21.52 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.671 0.748 . . . . 0.0 110.914 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.518 ' HD2' ' CG ' ' A' ' 53' ' ' PHE . 53.5 Cg_endo -69.78 -178.88 2.56 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.666 2.244 . . . . 0.0 112.348 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.702 ' SG ' HG12 ' A' ' 57' ' ' VAL . 11.1 t -33.48 122.05 0.46 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.603 0.716 . . . . 0.0 110.891 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -51.55 0.38 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.682 2.254 . . . . 0.0 112.374 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.702 HG12 ' SG ' ' A' ' 55' ' ' CYS . 9.8 p -51.38 -28.72 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 5.8 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.968 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -109.61 170.65 7.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.853 0.358 . . . . 0.0 110.846 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -113.1 172.8 6.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.845 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.27 -122.35 1.83 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.522 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.4 t -159.73 160.3 33.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.9 0.381 . . . . 0.0 110.848 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.2 t -115.56 114.88 25.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.861 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.69 69.0 0.24 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.481 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -148.92 113.0 5.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.781 0.324 . . . . 0.0 111.139 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 10' ' ' GLU . 5.3 mp -82.52 41.83 0.73 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 9' ' ' LEU . 4.8 pt-20 -36.69 133.57 0.55 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -129.87 86.61 2.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.917 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.438 ' N ' HD12 ' A' ' 12' ' ' LEU . 5.6 mp -97.93 87.43 3.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.965 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -126.43 94.02 3.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.3 t -111.46 33.47 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.162 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -116.8 152.75 33.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -114.29 120.92 42.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.089 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.534 ' HB3' ' CD1' ' A' ' 24' ' ' TYR . 37.1 p -121.66 148.66 44.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.3 t -46.47 136.02 7.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.7 t -88.37 24.2 1.98 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.6 t -132.28 -63.42 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.3 p -86.08 -9.76 56.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 52.2 mt 62.3 53.89 2.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -123.58 140.99 52.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.534 ' CD1' ' HB3' ' A' ' 17' ' ' SER . 78.2 m-85 -85.95 121.96 29.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.55 HD13 ' HB3' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -129.0 162.49 27.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.919 179.89 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.33 113.64 25.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.435 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 8.9 mt-10 64.58 55.02 1.39 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.653 0.74 . . . . 0.0 110.925 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.55 ' HB3' HD13 ' A' ' 25' ' ' LEU . 53.8 Cg_endo -69.75 156.29 63.76 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.639 2.226 . . . . 0.0 112.36 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 50.3 t -63.98 134.39 28.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.13 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.697 HD13 ' HA ' ' A' ' 36' ' ' ASN . 40.8 mm -135.52 108.34 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.412 ' O ' ' N ' ' A' ' 34' ' ' GLY . 44.6 pt -82.52 163.72 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -37.51 -42.93 0.56 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 28.3 t -53.91 -46.55 71.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 31' ' ' ILE . . . 119.99 -38.28 2.82 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.521 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -47.58 130.13 13.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.798 0.332 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.697 ' HA ' HD13 ' A' ' 30' ' ' ILE . 0.6 OUTLIER -73.22 154.52 40.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.458 ' CD1' ' O ' ' A' ' 36' ' ' ASN . 66.6 m-85 -155.72 135.47 12.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.799 ' O ' HG22 ' A' ' 42' ' ' ILE . 14.6 p -99.28 155.68 17.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.878 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.476 ' HA ' ' CG2' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -47.1 -39.26 12.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 179.918 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.66 -30.32 71.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.082 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 43' ' ' THR . 56.8 m -95.32 -66.31 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.799 HG22 ' O ' ' A' ' 38' ' ' CYS . 6.0 tp -36.96 -31.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 41' ' ' CYS . 98.7 m -74.93 -49.98 18.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.135 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.3 tpm_? -44.62 -36.57 3.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 8.8 t-105 -92.4 -41.52 10.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.545 ' CG ' ' O ' ' A' ' 46' ' ' TRP . 23.9 t90 -85.57 38.16 0.73 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -62.19 -56.35 19.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.842 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.19 175.02 10.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.3 mp -47.44 175.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -87.68 45.82 1.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -77.16 -44.01 31.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.434 ' CG ' ' HD3' ' A' ' 54' ' ' PRO . 17.6 t70 -155.96 113.77 3.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -118.9 72.96 11.82 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.663 0.744 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.434 ' HD3' ' CG ' ' A' ' 52' ' ' ASP . 53.9 Cg_endo -69.78 110.01 2.45 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.636 2.224 . . . . 0.0 112.357 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 44.3 t -38.3 114.76 0.81 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.614 0.721 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -50.9 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.676 2.251 . . . . 0.0 112.338 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 57.9 t -49.7 -40.72 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.119 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 2.5 m . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.977 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.542 ' HB3' ' HG3' ' A' ' 28' ' ' PRO . . . . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.838 0.351 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 84.9 p -161.25 152.01 18.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.6 t -50.58 167.09 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.2 m -106.18 -37.18 6.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.5 t -71.52 -69.84 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.103 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.0 p -80.74 -15.46 56.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 23.9 mt 55.96 51.04 12.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -101.66 150.25 23.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.908 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -83.17 120.52 25.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.582 HD21 ' CB ' ' A' ' 38' ' ' CYS . 0.7 OUTLIER -123.86 164.28 19.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.956 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -89.48 -39.17 13.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -134.58 81.5 47.86 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.676 0.75 . . . . 0.0 110.871 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.542 ' HG3' ' HB3' ' A' ' 16' ' ' ALA . 54.3 Cg_endo -69.7 140.95 44.15 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.708 2.272 . . . . 0.0 112.354 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.7 t -74.86 102.37 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.433 ' CD1' HD22 ' A' ' 36' ' ' ASN . 27.6 mm -88.98 89.23 3.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.143 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 24.9 pt -61.6 176.9 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 33' ' ' CYS . 15.9 pt-20 -47.49 -46.86 27.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.421 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 0.8 OUTLIER -54.44 -54.29 42.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.925 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 130.16 -36.38 2.33 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.457 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -46.69 153.18 0.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.779 0.323 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.433 HD22 ' CD1' ' A' ' 30' ' ' ILE . 1.0 OUTLIER -88.43 140.79 29.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.913 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -147.02 132.14 18.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.696 ' O ' HG22 ' A' ' 42' ' ' ILE . 16.4 p -90.26 156.41 18.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.14 -44.35 21.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.48 -33.59 71.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 43' ' ' THR . 57.0 m -92.48 -69.71 0.73 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.696 HG22 ' O ' ' A' ' 38' ' ' CYS . 8.0 tp -37.1 -29.48 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.114 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.471 ' N ' ' O ' ' A' ' 41' ' ' CYS . 17.5 m -74.39 -48.19 29.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.13 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 41' ' ' CYS . 12.6 tpt180 -45.27 -38.09 5.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 10.5 t-105 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.976 179.971 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.777 0.322 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.2 t -145.75 150.96 37.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.4 t -49.23 163.43 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.0 m -98.73 -18.38 18.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 77.3 t -98.1 -67.67 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.155 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.9 p -79.79 -4.01 50.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 16.3 mt 42.63 53.87 4.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.405 ' O ' HD12 ' A' ' 25' ' ' LEU . 3.8 tt0 -108.06 143.52 36.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -78.86 120.27 23.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.488 HD21 ' HB3' ' A' ' 38' ' ' CYS . 0.9 OUTLIER -121.13 177.5 5.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.949 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.4 tttt -97.78 -45.08 6.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -131.93 82.74 58.86 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.619 0.723 . . . . 0.0 110.855 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 156.49 63.05 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.7 2.267 . . . . 0.0 112.342 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.3 t -86.39 92.12 3.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 81.8 mt -82.48 107.71 14.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 20.1 pt -82.24 -176.49 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.427 ' H ' ' CD ' ' A' ' 32' ' ' GLU . 17.8 mp0 -52.77 -45.55 67.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -54.61 -58.27 8.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 136.89 -35.87 2.04 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.49 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.5 m170 -48.99 158.15 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.85 0.357 . . . . 0.0 110.855 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -96.73 147.92 23.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -151.92 133.72 14.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.655 ' O ' HG22 ' A' ' 42' ' ' ILE . 17.8 p -93.69 155.91 16.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.573 ' O ' HG22 ' A' ' 43' ' ' THR . 8.0 tppt? -49.78 -40.56 41.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.939 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.503 ' C ' HG22 ' A' ' 43' ' ' THR . . . -59.73 -34.6 73.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 63.5 m -92.58 -67.29 0.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.655 HG22 ' O ' ' A' ' 38' ' ' CYS . 4.8 tp -39.46 -36.0 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.573 HG22 ' O ' ' A' ' 39' ' ' LYS . 1.9 t -48.12 -50.24 29.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.448 ' N ' HG23 ' A' ' 43' ' ' THR . 72.9 ttt-85 -50.59 -43.32 56.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 10.7 t-105 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.597 ' HB1' ' HG3' ' A' ' 28' ' ' PRO . . . . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.807 0.337 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.2 p -159.53 149.55 18.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.6 t -45.67 167.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.847 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.5 m -105.76 -32.97 8.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 83.5 t -77.06 -67.21 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.11 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.8 p -82.24 -18.68 41.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.3 mt 58.44 52.6 6.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.945 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.426 ' O ' HD12 ' A' ' 25' ' ' LEU . 13.7 tt0 -104.27 148.37 26.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -80.38 127.49 32.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.911 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.461 HD21 ' HB3' ' A' ' 38' ' ' CYS . 1.1 mp -131.43 162.6 29.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.896 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -85.58 -40.1 16.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -133.13 86.56 41.84 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.668 0.747 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.597 ' HG3' ' HB1' ' A' ' 16' ' ' ALA . 53.8 Cg_endo -69.72 136.0 31.99 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.679 2.252 . . . . 0.0 112.331 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.2 t -75.08 91.37 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.159 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.581 HD11 ' CG ' ' A' ' 36' ' ' ASN . 46.2 mm -88.43 113.69 25.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.591 HD11 ' SG ' ' A' ' 33' ' ' CYS . 41.0 pt -84.83 -178.54 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -54.54 -46.71 73.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.591 ' SG ' HD11 ' A' ' 31' ' ' ILE . 1.0 OUTLIER -48.71 -39.46 24.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.403 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . 101.4 46.54 1.67 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.477 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 48.7 m170 -133.26 151.23 51.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.812 0.339 . . . . 0.0 110.84 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.581 ' CG ' HD11 ' A' ' 30' ' ' ILE . 2.1 m-80 -87.97 146.21 25.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -155.92 130.27 8.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.695 ' SG ' ' HB3' ' A' ' 40' ' ' ALA . 19.2 p -88.93 140.58 29.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.48 ' HA ' ' CG2' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -37.52 -27.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.886 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.695 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . . . -66.88 -49.57 65.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.068 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.472 ' O ' ' N ' ' A' ' 43' ' ' THR . 76.9 m -80.32 -66.09 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.48 ' CG2' ' HA ' ' A' ' 39' ' ' LYS . 9.0 tp -36.07 -30.81 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.149 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.472 ' N ' ' O ' ' A' ' 41' ' ' CYS . 15.9 m -76.42 -63.65 1.28 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.411 ' HD2' ' C ' ' A' ' 44' ' ' ARG . 0.5 OUTLIER -39.25 -28.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.449 ' N ' ' O ' ' A' ' 43' ' ' THR . 4.3 t-105 . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.461 ' HB1' ' HG3' ' A' ' 28' ' ' PRO . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.814 0.34 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.4 t -159.69 153.1 22.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.852 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.5 t -56.8 167.21 0.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.2 m -102.4 -27.45 12.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.814 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 74.6 t -87.19 -65.84 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.106 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.0 p -80.34 -20.72 43.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.5 mt 59.53 54.26 4.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.444 ' O ' HD12 ' A' ' 25' ' ' LEU . 25.8 mm-40 -107.21 146.76 31.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.859 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -80.53 115.58 20.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.444 HD12 ' O ' ' A' ' 23' ' ' GLU . 0.6 OUTLIER -119.89 174.34 6.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.943 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.46 ' HD3' ' N ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -97.83 -40.7 8.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 179.867 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -133.84 82.37 49.98 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.631 0.729 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.461 ' HG3' ' HB1' ' A' ' 16' ' ' ALA . 53.7 Cg_endo -69.78 147.31 62.44 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.684 2.256 . . . . 0.0 112.296 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.5 t -79.61 84.97 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 56.6 mt -74.07 99.75 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 42.7 pt -67.1 177.11 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.142 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -51.15 -46.8 62.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -52.52 -59.04 4.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 139.92 -29.82 2.41 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 23.3 m170 -57.44 141.48 47.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.807 0.337 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -79.86 148.67 31.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -154.54 135.37 13.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.429 ' HB3' HD21 ' A' ' 25' ' ' LEU . 16.5 p -93.43 152.83 18.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.57 ' HA ' HG22 ' A' ' 42' ' ' ILE . 8.9 ttmt -46.72 -42.37 16.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.528 ' C ' HG22 ' A' ' 43' ' ' THR . . . -58.47 -30.93 67.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.078 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 56.8 m -95.03 -64.39 1.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.57 HG22 ' HA ' ' A' ' 39' ' ' LYS . 4.7 tp -44.43 -26.45 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.528 HG22 ' C ' ' A' ' 40' ' ' ALA . 3.3 t -57.33 -45.01 84.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.142 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.405 ' N ' HG23 ' A' ' 43' ' ' THR . 26.0 ttm180 -45.87 -52.8 10.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.861 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 7.7 t-105 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.829 ' HB1' ' HG3' ' A' ' 28' ' ' PRO . . . . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.814 0.34 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.5 p -173.59 156.98 3.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.6 t -60.05 166.91 2.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 71.8 m -103.37 -34.48 8.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 97.5 t -79.54 -70.05 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.158 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 32.1 p -77.06 -18.86 57.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.5 mt 56.83 53.28 8.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.414 ' HG2' ' N ' ' A' ' 24' ' ' TYR . 42.0 tt0 -101.67 162.1 13.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.414 ' N ' ' HG2' ' A' ' 23' ' ' GLU . 37.8 t80 -90.49 111.83 23.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.916 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.667 HD21 ' HB3' ' A' ' 38' ' ' CYS . 1.1 mp -119.86 152.35 37.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.927 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -76.7 -43.71 36.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -131.89 80.95 64.08 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.621 0.724 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.829 ' HG3' ' HB1' ' A' ' 16' ' ' ALA . 53.3 Cg_endo -69.83 139.63 40.45 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.65 2.233 . . . . 0.0 112.301 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.4 t -69.43 96.46 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.175 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.46 HD11 ' OD1' ' A' ' 36' ' ' ASN . 80.7 mt -101.44 104.54 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 40.0 pt -73.99 -175.44 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -83.43 37.18 0.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 1.1 p -116.28 -40.36 3.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.424 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . 115.86 38.04 1.0 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.556 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.405 ' CD2' ' O ' ' A' ' 34' ' ' GLY . 32.2 m170 -146.49 158.11 43.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.789 0.328 . . . . 0.0 110.87 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.46 ' OD1' HD11 ' A' ' 30' ' ' ILE . 2.5 m-80 -108.38 148.63 29.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -155.57 144.58 20.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.667 ' HB3' HD21 ' A' ' 25' ' ' LEU . 14.8 p -99.51 155.48 17.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.589 ' O ' HG22 ' A' ' 43' ' ' THR . 0.4 OUTLIER -48.7 -45.63 39.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.909 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.516 ' C ' HG22 ' A' ' 43' ' ' THR . . . -55.42 -32.8 63.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.06 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.462 ' O ' ' N ' ' A' ' 43' ' ' THR . 61.8 m -94.72 -67.71 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.554 HG22 ' O ' ' A' ' 38' ' ' CYS . 8.3 tp -40.26 -24.99 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.589 HG22 ' O ' ' A' ' 39' ' ' LYS . 5.3 t -66.95 -49.28 65.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.135 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.504 ' N ' HG23 ' A' ' 43' ' ' THR . 5.0 ptm180 -53.46 -37.59 62.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 9.4 t-105 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.927 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.426 ' CB ' ' HG3' ' A' ' 28' ' ' PRO . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.808 0.337 . . . . 0.0 111.114 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.5 t -175.03 153.0 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.4 t -64.59 169.08 5.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.4 m -103.55 -40.57 6.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.837 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 86.5 t -71.16 -68.77 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.115 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.4 p -77.3 -28.8 53.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 16.6 mt 66.98 51.41 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.424 ' O ' HD12 ' A' ' 25' ' ' LEU . 41.7 mt-10 -106.69 150.91 25.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -83.36 117.28 22.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.936 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.781 HD21 ' HB3' ' A' ' 38' ' ' CYS . 1.6 mp -118.17 170.42 8.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.877 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.485 ' HG2' ' N ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -97.33 -35.18 10.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.843 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.485 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 15.8 mm-40 -134.97 77.04 57.39 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.621 0.725 . . . . 0.0 110.929 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.426 ' HG3' ' CB ' ' A' ' 16' ' ' ALA . 54.0 Cg_endo -69.7 142.58 48.56 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.696 2.264 . . . . 0.0 112.345 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 81.4 t -74.63 95.29 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.581 HG23 ' O ' ' A' ' 34' ' ' GLY . 30.5 mt -94.86 95.89 5.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.658 HD11 ' SG ' ' A' ' 33' ' ' CYS . 38.5 pt -71.88 176.59 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.122 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -48.31 -43.54 33.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.919 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.658 ' SG ' HD11 ' A' ' 31' ' ' ILE . 0.8 OUTLIER -59.02 -34.21 71.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.581 ' O ' HG23 ' A' ' 30' ' ' ILE . . . 113.58 -49.62 0.83 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.452 ' C ' ' O ' ' A' ' 34' ' ' GLY . 44.9 m170 -33.54 146.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.321 . . . . 0.0 110.863 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -102.96 150.97 23.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -155.64 131.9 10.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.781 ' HB3' HD21 ' A' ' 25' ' ' LEU . 29.6 p -80.58 144.78 32.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.479 ' HA ' ' CG2' ' A' ' 42' ' ' ILE . 3.4 mtmp? -32.02 -41.28 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . -60.5 -66.22 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.094 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 42' ' ' ILE . 92.5 m -58.56 -65.32 0.67 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.737 HG22 ' O ' ' A' ' 38' ' ' CYS . 5.6 tp -36.12 -37.87 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.085 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.0 m -66.66 -49.79 65.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.17 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 41' ' ' CYS . 22.7 ttt180 -43.71 -41.59 4.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 12.9 t-105 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 -179.939 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.815 0.34 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.7 m -155.13 152.49 29.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.6 t -50.96 166.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 81.1 p -104.0 -36.62 7.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 98.7 t -73.46 -72.85 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.145 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.2 p -76.05 -19.21 58.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.3 mt 58.51 52.26 7.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -102.12 163.03 12.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -94.93 117.26 29.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.655 HD21 ' CB ' ' A' ' 38' ' ' CYS . 0.3 OUTLIER -123.46 152.22 41.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.919 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.9 mttm -78.68 -44.34 23.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -132.41 77.36 70.35 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.6 0.714 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.541 ' HG2' HD11 ' A' ' 30' ' ' ILE . 53.1 Cg_endo -69.8 176.96 6.1 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.672 2.248 . . . . 0.0 112.328 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.4 t -103.27 111.68 33.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.541 HD11 ' HG2' ' A' ' 28' ' ' PRO . 5.2 mp -112.06 105.79 19.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.097 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.462 HD11 ' SG ' ' A' ' 33' ' ' CYS . 44.6 pt -80.98 -176.46 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.118 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -60.61 -46.19 91.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.487 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 0.9 OUTLIER -39.49 -44.15 1.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.863 -179.888 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.487 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . 104.42 52.5 0.87 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.505 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.434 ' CD2' ' O ' ' A' ' 34' ' ' GLY . 43.9 m170 -141.97 165.34 27.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.0 110.832 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -105.07 142.07 35.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -152.45 138.14 17.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.722 ' O ' HG22 ' A' ' 42' ' ' ILE . 17.1 p -92.82 160.61 14.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.479 ' HA ' ' CG2' ' A' ' 42' ' ' ILE . 38.5 mmtm -57.81 -29.42 64.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.453 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . . . -69.42 -31.02 69.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.079 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 43' ' ' THR . 69.5 m -95.04 -65.92 0.95 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.722 HG22 ' O ' ' A' ' 38' ' ' CYS . 6.7 tp -36.24 -31.45 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.135 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.557 HG23 ' N ' ' A' ' 44' ' ' ARG . 8.8 t -64.59 -48.44 74.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.557 ' N ' HG23 ' A' ' 43' ' ' THR . 56.6 ttm-85 -45.89 -50.99 13.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.836 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 6.3 t-105 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 -179.971 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.48 ' HB1' ' HG3' ' A' ' 28' ' ' PRO . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.778 0.323 . . . . 0.0 111.094 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 75.6 p -174.27 156.97 2.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.6 t -58.48 167.25 1.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 79.8 p -102.84 -39.53 6.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.2 t -73.12 -71.72 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.102 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.7 p -74.68 -25.83 59.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.8 mt 65.09 54.77 1.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.54 ' O ' HD12 ' A' ' 25' ' ' LEU . 9.2 tp10 -105.44 150.92 24.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -83.59 117.48 23.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.962 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.618 HD21 ' HB3' ' A' ' 38' ' ' CYS . 1.3 mp -125.26 159.98 30.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.916 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.3 ttmm -81.75 -46.4 14.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -130.27 82.54 65.43 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.652 0.739 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.48 ' HG3' ' HB1' ' A' ' 16' ' ' ALA . 53.7 Cg_endo -69.79 143.61 51.25 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.657 2.238 . . . . 0.0 112.365 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 99.7 t -78.44 95.76 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.559 HG23 ' O ' ' A' ' 35' ' ' HIS . 54.5 mt -96.24 105.97 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 47.5 pt -71.91 -176.7 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -82.46 39.35 0.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.448 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 1.0 OUTLIER -117.74 -41.53 2.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.475 ' O ' ' CD2' ' A' ' 35' ' ' HIS . . . 117.83 41.83 0.64 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.519 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.559 ' O ' HG23 ' A' ' 30' ' ' ILE . 29.1 m170 -149.7 179.12 8.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.839 0.352 . . . . 0.0 110.835 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -123.75 150.31 44.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.918 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -153.65 144.4 22.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.682 ' O ' HG22 ' A' ' 42' ' ' ILE . 27.1 p -95.55 146.83 24.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.471 ' HA ' ' CG2' ' A' ' 42' ' ' ILE . 0.9 OUTLIER -35.66 -30.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . -70.31 -55.83 8.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.102 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.473 ' O ' ' N ' ' A' ' 43' ' ' THR . 92.9 m -67.03 -63.29 1.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.926 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.682 HG22 ' O ' ' A' ' 38' ' ' CYS . 3.9 tp -36.04 -31.61 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 41' ' ' CYS . 25.0 m -63.73 -55.42 23.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.169 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 43' ' ' THR . 24.0 ttt180 -37.72 -46.04 0.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 5.3 t-105 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.957 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.406 ' HB1' ' HG3' ' A' ' 28' ' ' PRO . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.776 0.322 . . . . 0.0 111.111 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 85.1 p -165.44 152.23 10.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.833 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.6 t -53.73 160.46 1.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.4 m -101.5 -3.85 27.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.7 t -113.18 -55.31 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.159 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.477 ' O ' ' N ' ' A' ' 23' ' ' GLU . 24.6 p -102.63 15.58 28.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.51 HD22 ' N ' ' A' ' 22' ' ' LEU . 3.0 mm? 34.01 34.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 21' ' ' CYS . 36.5 tt0 -73.4 148.99 42.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -89.37 122.33 32.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.35 159.5 41.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.0 tppt? -87.93 -46.02 9.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.4 tp10 -126.39 84.15 62.73 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.69 0.757 . . . . 0.0 110.932 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.406 ' HG3' ' HB1' ' A' ' 16' ' ' ALA . 53.5 Cg_endo -69.75 155.82 64.97 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.679 2.253 . . . . 0.0 112.356 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.0 t -80.96 102.78 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.134 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.529 ' CD1' ' ND2' ' A' ' 36' ' ' ASN . 36.5 mm -94.33 116.44 35.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.185 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.4 pt -95.2 -175.29 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.177 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -51.38 -42.79 61.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.24 -35.08 79.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.86 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.524 ' O ' HG23 ' A' ' 30' ' ' ILE . . . 112.1 -50.23 0.79 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.472 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 34' ' ' GLY . 47.6 m170 -34.65 142.56 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.819 0.342 . . . . 0.0 110.858 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.701 HD22 ' N ' ' A' ' 36' ' ' ASN . 0.7 OUTLIER -89.17 154.72 19.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -155.09 139.99 17.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.618 ' O ' HG22 ' A' ' 42' ' ' ILE . 14.5 p -91.45 151.73 20.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.481 ' HA ' ' CG2' ' A' ' 42' ' ' ILE . 6.3 mtmp? -48.79 -37.85 20.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.443 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . . . -61.58 -31.19 71.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.086 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 42' ' ' ILE . 56.4 m -94.78 -68.72 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.618 HG22 ' O ' ' A' ' 38' ' ' CYS . 6.0 tp -37.4 -39.92 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.088 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.497 HG23 ' N ' ' A' ' 44' ' ' ARG . 5.9 t -46.97 -47.94 21.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.497 ' N ' HG23 ' A' ' 43' ' ' THR . 24.9 ttm180 -58.02 -43.22 86.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 9.6 t-105 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.995 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.82 0.343 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.1 m -165.04 158.71 17.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.6 t -56.57 167.09 0.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 73.3 m -103.34 -27.99 12.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.619 ' O ' HD23 ' A' ' 22' ' ' LEU . 79.1 t -88.34 -64.47 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.153 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.488 ' C ' HD23 ' A' ' 22' ' ' LEU . 29.9 p -86.58 1.22 52.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.63 ' N ' HD23 ' A' ' 22' ' ' LEU . 0.2 OUTLIER 34.38 51.6 0.46 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -100.2 148.67 24.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -81.93 123.54 28.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.924 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.716 HD21 ' HB3' ' A' ' 38' ' ' CYS . 0.2 OUTLIER -129.55 161.35 30.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.1 mmtp -96.45 -36.62 10.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -129.69 72.76 81.89 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.648 0.737 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -172.96 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.694 2.263 . . . . 0.0 112.345 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.8 t -127.25 101.17 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.2 mp -95.51 85.42 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.178 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.418 HD11 ' SG ' ' A' ' 33' ' ' CYS . 39.7 pt -51.74 -174.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -80.72 40.28 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.418 ' SG ' HD11 ' A' ' 31' ' ' ILE . 0.7 OUTLIER -128.4 -31.46 2.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 117.46 -51.73 0.72 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -51.25 169.42 0.05 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.778 0.323 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -111.01 151.84 27.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -153.86 138.76 17.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.716 ' HB3' HD21 ' A' ' 25' ' ' LEU . 31.8 p -95.45 147.05 23.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 38' ' ' CYS . 3.3 tptt -33.33 -42.7 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.08 -67.87 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 81.2 m -57.3 -65.26 0.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.591 HG22 ' O ' ' A' ' 38' ' ' CYS . 9.4 tp -39.1 -32.28 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.186 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 45' ' ' TRP . 3.1 m -76.51 -61.61 1.9 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.138 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -40.71 -25.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.453 ' N ' ' O ' ' A' ' 43' ' ' THR . 4.9 t-105 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.934 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.616 ' HB1' ' HG3' ' A' ' 28' ' ' PRO . . . . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.801 0.334 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.6 m -63.2 154.73 30.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.0 t -53.52 166.4 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.1 p -100.23 -32.81 10.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.7 t -81.88 -74.31 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.153 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.6 p -71.48 -14.14 62.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 39.9 mt 53.49 52.96 12.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -109.1 149.26 29.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -83.21 124.86 30.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.968 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.456 HD21 ' CB ' ' A' ' 38' ' ' CYS . 1.0 OUTLIER -129.78 160.62 32.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.7 mttm -84.02 -42.31 16.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -130.47 81.1 68.87 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.627 0.727 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.616 ' HG3' ' HB1' ' A' ' 16' ' ' ALA . 53.2 Cg_endo -69.78 145.65 57.69 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.656 2.237 . . . . 0.0 112.312 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.9 t -79.28 92.8 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 25.9 mt -82.33 105.94 12.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.431 HD11 ' HB3' ' A' ' 33' ' ' CYS . 30.5 pt -69.83 -174.78 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -81.38 40.71 0.58 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.431 ' HB3' HD11 ' A' ' 31' ' ' ILE . 5.9 t -133.89 -48.72 0.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 133.41 -28.91 3.23 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.461 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 23.7 m80 -62.78 166.42 5.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.793 0.33 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -103.02 142.31 34.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -149.53 134.49 17.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.825 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.456 ' CB ' HD21 ' A' ' 25' ' ' LEU . 17.1 p -97.81 156.89 16.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.7 ptpp? -52.58 -37.04 57.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.31 -30.21 70.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.093 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 42' ' ' ILE . 56.9 m -93.47 -72.47 0.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.416 HG22 ' O ' ' A' ' 38' ' ' CYS . 8.7 tp -36.17 -35.41 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 99.6 m -73.21 -64.03 1.06 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -49.74 -31.47 11.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 7.8 t-105 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.958 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.782 0.325 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 86.7 p -173.07 147.4 1.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.5 t -48.4 167.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.4 m -107.14 -39.82 5.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.0 t -70.48 -65.29 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.12 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 32.0 p -82.19 -19.81 39.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 76.3 mt 58.8 50.16 9.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.422 ' HG2' ' N ' ' A' ' 24' ' ' TYR . 20.9 tt0 -101.01 149.12 24.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.422 ' N ' ' HG2' ' A' ' 23' ' ' GLU . 68.3 t80 -82.7 124.1 29.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.91 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.424 HD21 ' HB3' ' A' ' 38' ' ' CYS . 0.5 OUTLIER -132.0 144.46 50.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.952 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -70.27 -46.63 63.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -130.57 75.64 78.63 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.625 0.726 . . . . 0.0 110.857 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 163.39 38.44 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.663 2.242 . . . . 0.0 112.396 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.5 t -73.68 92.25 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.481 HG12 ' ND2' ' A' ' 36' ' ' ASN . 63.2 mt -93.58 80.09 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.2 pt -61.91 -177.47 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -81.99 39.1 0.55 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -123.33 -37.02 2.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 125.47 -53.78 0.77 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.533 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -57.71 174.77 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.823 0.344 . . . . 0.0 110.853 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.509 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 9.3 m120 -127.02 153.38 46.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.509 ' CD1' ' O ' ' A' ' 36' ' ' ASN . 50.0 m-85 -154.06 145.42 23.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.529 ' SG ' ' HB3' ' A' ' 40' ' ' ALA . 27.7 p -94.22 149.98 20.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm -46.16 -20.5 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.529 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . . . -80.65 -37.65 30.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.117 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 89.6 m -95.87 -61.04 1.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.442 ' CG1' ' HB2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -42.13 -32.15 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.459 HG23 ' N ' ' A' ' 44' ' ' ARG . 10.1 t -61.71 -44.08 97.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.172 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.459 ' N ' HG23 ' A' ' 43' ' ' THR . 47.0 ttt180 -48.86 -59.23 3.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 15.8 t-105 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.966 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.667 ' HB1' ' HG3' ' A' ' 28' ' ' PRO . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.791 0.329 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.6 p -169.68 144.17 2.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.846 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.51 ' O ' HD13 ' A' ' 22' ' ' LEU . 13.2 t -42.74 165.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.84 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.416 ' HB2' ' CE1' ' A' ' 37' ' ' PHE . 2.0 m -102.54 -6.33 22.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.832 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 92.0 t -112.27 -58.06 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.451 ' O ' ' C ' ' A' ' 22' ' ' LEU . 28.4 p -99.6 12.82 35.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.51 HD13 ' O ' ' A' ' 18' ' ' CYS . 3.3 mm? 34.03 41.08 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.925 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -75.7 158.26 32.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -93.61 118.96 32.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.43 HD21 ' HB3' ' A' ' 38' ' ' CYS . 0.2 OUTLIER -135.03 136.9 42.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.947 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.423 ' HG2' ' N ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -68.26 -34.86 76.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 179.779 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.423 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 5.5 pt-20 -131.62 81.34 64.31 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.648 0.737 . . . . 0.0 110.909 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.667 ' HG3' ' HB1' ' A' ' 16' ' ' ALA . 53.5 Cg_endo -69.71 142.21 47.52 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.717 2.278 . . . . 0.0 112.356 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.5 t -67.93 91.34 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.122 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.427 ' O ' HG22 ' A' ' 30' ' ' ILE . 40.5 mt -91.15 81.35 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.13 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.505 HD11 ' SG ' ' A' ' 33' ' ' CYS . 33.0 pt -56.69 -175.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.48 36.35 0.53 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.505 ' SG ' HD11 ' A' ' 31' ' ' ILE . 1.2 p -119.33 -43.39 2.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.478 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . 113.06 45.92 0.73 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.508 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -146.92 176.97 9.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.793 0.33 . . . . 0.0 110.843 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -118.19 141.62 48.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.416 ' CE1' ' HB2' ' A' ' 19' ' ' SER . 77.7 m-85 -155.14 136.67 14.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.616 ' O ' HG22 ' A' ' 42' ' ' ILE . 14.8 p -93.56 151.68 19.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.479 ' HA ' ' CG2' ' A' ' 42' ' ' ILE . 2.7 mptp? -43.98 -45.96 8.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.92 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.83 -36.87 67.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 60.9 m -89.02 -69.94 0.68 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.616 HG22 ' O ' ' A' ' 38' ' ' CYS . 8.0 tp -36.86 -35.69 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.092 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 100.0 m -72.65 -49.35 32.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.14 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.51 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -51.07 -23.44 3.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 4.7 t-105 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.958 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.778 ' HB1' ' HG3' ' A' ' 28' ' ' PRO . . . . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.79 0.329 . . . . 0.0 111.073 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 99.7 p -174.27 154.42 2.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.6 t -62.89 165.9 6.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.9 p -102.38 -34.85 9.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.7 t -77.59 -73.03 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.123 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.5 p -72.58 -16.86 61.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 64.8 mt 56.79 53.06 8.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -108.07 156.25 19.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -89.68 121.86 32.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.564 HD21 ' CB ' ' A' ' 38' ' ' CYS . 1.3 mp -127.09 138.51 53.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.5 ptmt -63.05 -42.13 99.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -134.76 82.21 44.86 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.683 0.754 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.778 ' HG3' ' HB1' ' A' ' 16' ' ' ALA . 53.4 Cg_endo -69.83 156.66 62.61 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.69 2.26 . . . . 0.0 112.319 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 66.0 t -80.68 121.89 34.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.622 HD12 ' O ' ' A' ' 28' ' ' PRO . 5.3 mp -113.82 100.31 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.439 HD11 ' SG ' ' A' ' 33' ' ' CYS . 39.3 pt -76.65 179.13 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.11 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -46.34 -46.33 18.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.439 ' SG ' HD11 ' A' ' 31' ' ' ILE . 1.0 OUTLIER -60.98 -35.99 78.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.515 ' O ' HG23 ' A' ' 30' ' ' ILE . . . 113.04 -48.25 0.96 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.455 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.479 ' C ' ' O ' ' A' ' 34' ' ' GLY . 66.4 m170 -32.1 135.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.823 0.344 . . . . 0.0 110.83 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.5 m120 -80.2 151.3 29.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -155.85 142.57 18.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.67 ' O ' HG22 ' A' ' 42' ' ' ILE . 19.3 p -99.3 152.6 19.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.938 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.448 ' HA ' ' CG2' ' A' ' 42' ' ' ILE . 38.5 mmtt -46.4 -35.84 5.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.455 ' C ' HG22 ' A' ' 43' ' ' THR . . . -64.38 -37.14 86.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 43' ' ' THR . 86.4 m -95.47 -64.38 1.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.67 HG22 ' O ' ' A' ' 38' ' ' CYS . 5.4 tp -38.64 -26.29 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.138 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.492 ' N ' ' O ' ' A' ' 41' ' ' CYS . 4.7 t -66.04 -46.14 78.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.203 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.455 ' N ' HG23 ' A' ' 43' ' ' THR . 38.0 ttt180 -49.26 -57.36 6.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 9.7 t-105 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.769 0.318 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.7 m -157.51 148.46 21.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.2 t -47.65 166.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.0 m -104.51 -34.98 8.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 64.9 t -77.0 -70.79 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.124 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.3 p -76.17 -16.03 59.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.7 mt 55.72 49.04 17.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -98.01 159.8 14.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -95.01 121.23 36.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.962 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.46 160.86 31.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.466 ' N ' ' HD2' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -84.31 -44.11 14.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.839 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -131.23 78.42 72.52 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.643 0.735 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -177.82 2.06 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.678 2.252 . . . . 0.0 112.375 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 43.1 t -108.7 119.62 58.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.443 ' N ' HD12 ' A' ' 30' ' ' ILE . 4.9 mp -109.22 138.37 36.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 42.3 pt -113.33 175.8 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -43.2 -45.78 5.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 9.9 t -60.35 -50.03 75.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 128.53 -40.92 1.64 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.467 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 28.8 m170 -39.69 142.83 0.28 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.839 0.352 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -89.88 150.54 22.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -153.26 137.48 16.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.545 ' SG ' ' HB3' ' A' ' 40' ' ' ALA . 18.1 p -91.58 150.74 21.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.415 ' HA ' HG22 ' A' ' 42' ' ' ILE . 9.8 tppt? -52.09 -20.35 2.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.545 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . . . -78.48 -31.21 47.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.08 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 59.7 m -95.11 -58.24 2.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.447 HG22 ' O ' ' A' ' 38' ' ' CYS . 10.6 tp -48.12 -25.36 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.477 HG22 ' C ' ' A' ' 40' ' ' ALA . 6.4 t -64.89 -39.25 93.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.164 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 30.0 ttt85 -57.82 -37.13 73.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 8.2 t-105 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.96 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.819 0.342 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.9 p -170.95 155.55 4.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.407 ' O ' HD13 ' A' ' 22' ' ' LEU . 11.1 t -52.29 167.77 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 80.8 p -106.03 -12.66 15.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.1 t -104.25 -48.04 9.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.12 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 22' ' ' LEU . 21.8 p -109.54 12.33 24.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.509 HD22 ' H ' ' A' ' 22' ' ' LEU . 3.3 mm? 33.98 40.38 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -74.17 150.99 40.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -89.65 102.91 15.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.94 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -118.19 155.24 30.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.2 mttm -81.0 -43.88 18.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -133.82 80.22 55.98 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.667 0.746 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 147.6 63.54 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.675 2.25 . . . . 0.0 112.379 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.4 t -70.2 91.14 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.117 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.401 ' O ' ' O ' ' A' ' 31' ' ' ILE . 37.9 mt -88.02 83.7 2.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.152 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.401 ' O ' ' O ' ' A' ' 30' ' ' ILE . 43.4 pt -50.69 -176.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.119 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.67 41.57 0.49 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -128.15 -33.0 2.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.849 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.74 -52.57 0.74 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.483 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 34.5 m80 -53.23 179.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.795 0.331 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.424 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 2.4 m-80 -123.57 158.65 30.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.424 ' CD1' ' C ' ' A' ' 36' ' ' ASN . 83.7 m-85 -155.76 145.84 21.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.832 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.463 ' SG ' ' HB3' ' A' ' 40' ' ' ALA . 15.8 p -99.95 150.8 22.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 42.8 mmtt -45.84 -35.93 4.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.463 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . . . -65.18 -32.82 74.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 42' ' ' ILE . 53.6 m -90.42 -70.03 0.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.469 HG23 ' N ' ' A' ' 43' ' ' THR . 6.7 tp -36.37 -42.26 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.124 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.5 HG23 ' N ' ' A' ' 44' ' ' ARG . 9.7 t -51.33 -45.64 62.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.09 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.5 ' N ' HG23 ' A' ' 43' ' ' THR . 29.2 ttp180 -48.79 -56.42 8.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 5.9 t-105 . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.967 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.445 ' HB1' ' CG ' ' A' ' 28' ' ' PRO . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.807 0.337 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.7 m -148.1 139.66 23.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.7 t -45.49 167.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 94.3 p -102.45 -41.41 6.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.4 t -70.25 -69.87 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.137 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.1 p -74.31 -19.09 60.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 76.7 mt 59.33 50.72 7.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -113.5 148.67 35.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.84 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -86.51 121.62 29.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.577 HD13 ' HB3' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -125.23 171.14 10.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.918 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.63 101.97 13.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.438 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 16.3 tp10 75.02 54.93 0.24 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.572 0.701 . . . . 0.0 110.919 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.577 ' HB3' HD13 ' A' ' 25' ' ' LEU . 53.7 Cg_endo -69.75 159.91 51.67 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.71 2.274 . . . . 0.0 112.349 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.1 t -61.62 117.71 3.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.191 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 44.3 mt -119.3 80.83 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 31.1 pt -63.39 161.84 2.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.127 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -42.34 -47.98 4.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 31.0 t -41.71 -44.69 3.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 118.48 -33.18 4.93 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.415 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.445 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 33.5 m170 -58.61 151.39 20.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.81 0.338 . . . . 0.0 110.863 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -98.45 149.41 22.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.445 ' CZ ' ' HB2' ' A' ' 35' ' ' HIS . 19.0 m-85 -153.15 138.44 17.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.599 ' O ' HG22 ' A' ' 42' ' ' ILE . 14.3 p -101.35 148.46 25.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.921 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.472 ' HA ' ' CG2' ' A' ' 42' ' ' ILE . 36.8 mmtm -44.99 -40.13 6.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.445 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . . . -59.47 -35.4 74.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 42' ' ' ILE . 67.1 m -93.26 -69.15 0.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.599 HG22 ' O ' ' A' ' 38' ' ' CYS . 4.4 tp -36.02 -39.78 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.174 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.471 HG23 ' N ' ' A' ' 44' ' ' ARG . 3.5 t -44.8 -49.08 10.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.08 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.471 ' N ' HG23 ' A' ' 43' ' ' THR . 0.1 OUTLIER -54.02 -47.79 71.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 9.1 t-105 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.936 -179.96 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.524 ' HB3' ' HG3' ' A' ' 28' ' ' PRO . . . . . . . . 0 N--CA 1.457 -0.12 0 CA-C-O 120.762 0.315 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 82.7 p -167.02 158.31 12.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.837 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.9 t -61.74 168.79 2.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.3 m -105.28 -40.92 5.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.9 t -70.46 -67.84 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.139 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.4 p -79.74 -25.67 41.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.3 mt 66.21 54.65 0.94 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.478 ' O ' HD12 ' A' ' 25' ' ' LEU . 15.9 tp10 -104.6 152.87 21.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.448 ' N ' ' HG3' ' A' ' 23' ' ' GLU . 20.3 m-85 -85.1 121.11 27.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.93 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.478 HD12 ' O ' ' A' ' 23' ' ' GLU . 1.4 mp -129.71 142.8 50.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.91 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -68.83 -41.44 78.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -134.78 79.36 52.63 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.665 0.745 . . . . 0.0 110.862 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.524 ' HG3' ' HB3' ' A' ' 16' ' ' ALA . 53.9 Cg_endo -69.78 151.46 68.95 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.711 2.274 . . . . 0.0 112.343 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.576 HG11 HG13 ' A' ' 42' ' ' ILE . 91.4 t -66.35 85.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.087 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 24.5 mt -88.68 82.51 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.459 HD11 ' SG ' ' A' ' 33' ' ' CYS . 44.9 pt -66.33 -176.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -81.38 39.82 0.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.459 ' SG ' HD11 ' A' ' 31' ' ' ILE . 0.8 OUTLIER -125.18 -35.82 2.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.911 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.3 -51.63 0.78 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.5 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -59.53 167.26 2.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.594 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 12.8 m120 -118.05 152.46 35.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.594 ' CD1' ' O ' ' A' ' 36' ' ' ASN . 38.2 m-85 -153.49 139.81 18.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 41' ' ' CYS . 31.3 p -92.17 152.58 19.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.3 mmmm -42.5 -28.92 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.968 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.402 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . . . -76.56 -36.54 57.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.073 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.463 ' N ' ' O ' ' A' ' 38' ' ' CYS . 84.8 m -93.67 -65.82 0.96 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.576 HG13 HG11 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -36.98 -45.52 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.148 179.913 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.536 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 77.3 m -59.92 -50.25 74.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.125 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -40.49 -39.48 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 6.9 t-105 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 -179.944 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.709 ' HB1' ' HG3' ' A' ' 28' ' ' PRO . . . . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.798 0.332 . . . . 0.0 111.092 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 91.5 p -174.7 152.43 1.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.4 t -54.64 167.42 0.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 t -102.59 -37.45 7.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 80.4 t -75.48 -71.76 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.12 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.5 p -75.53 -26.93 58.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.4 mt 67.47 53.09 0.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.415 ' O ' HD12 ' A' ' 25' ' ' LEU . 41.9 tt0 -98.23 158.09 15.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -88.73 117.21 27.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.415 HD12 ' O ' ' A' ' 23' ' ' GLU . 1.1 mp -129.27 140.83 51.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.96 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.8 tptm -66.65 -41.43 88.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.414 ' HA ' ' HD2' ' A' ' 28' ' ' PRO . 5.0 tp10 -134.21 89.2 28.73 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.65 0.738 . . . . 0.0 110.85 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.709 ' HG3' ' HB1' ' A' ' 16' ' ' ALA . 54.2 Cg_endo -69.7 147.4 63.15 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.682 2.255 . . . . 0.0 112.367 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.2 t -75.98 87.81 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.138 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.1 mt -74.76 105.66 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 40.0 pt -78.87 175.16 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.154 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -46.96 -47.13 21.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -56.42 -49.5 74.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 131.35 -40.93 1.57 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.479 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 22.9 m170 -45.23 163.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.845 0.355 . . . . 0.0 110.835 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -102.31 152.42 21.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -155.78 130.86 9.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.686 ' O ' HG22 ' A' ' 42' ' ' ILE . 30.3 p -87.39 146.4 25.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.476 ' C ' ' O ' ' A' ' 38' ' ' CYS . 1.4 mptp? -32.27 -42.93 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.83 -59.08 6.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 42' ' ' ILE . 86.7 m -65.76 -67.35 0.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.686 HG22 ' O ' ' A' ' 38' ' ' CYS . 4.2 tp -36.1 -34.2 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.129 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.417 ' N ' ' O ' ' A' ' 41' ' ' CYS . 8.4 m -69.54 -50.92 40.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.149 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 41' ' ' CYS . 7.7 tpt180 -42.57 -40.78 2.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 10.1 t-105 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.93 -179.975 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.814 0.34 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.534 ' HB3' ' CD1' ' A' ' 24' ' ' TYR . 37.1 p -121.66 148.66 44.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.3 t -46.47 136.02 7.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.7 t -88.37 24.2 1.98 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.6 t -132.28 -63.42 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.3 p -86.08 -9.76 56.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 52.2 mt 62.3 53.89 2.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -123.58 140.99 52.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.534 ' CD1' ' HB3' ' A' ' 17' ' ' SER . 78.2 m-85 -85.95 121.96 29.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.55 HD13 ' HB3' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -129.0 162.49 27.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.919 179.89 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.33 113.64 25.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.435 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 8.9 mt-10 64.58 55.02 1.39 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.653 0.74 . . . . 0.0 110.925 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.55 ' HB3' HD13 ' A' ' 25' ' ' LEU . 53.8 Cg_endo -69.75 156.29 63.76 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.639 2.226 . . . . 0.0 112.36 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 50.3 t -63.98 134.39 28.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.13 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.783 HD11 HD22 ' A' ' 36' ' ' ASN . 40.8 mm -135.52 108.34 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.412 ' O ' ' N ' ' A' ' 34' ' ' GLY . 44.6 pt -82.52 163.72 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -37.51 -42.93 0.56 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 28.3 t -53.91 -46.55 71.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 31' ' ' ILE . . . 119.99 -38.28 2.82 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.521 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -47.58 130.13 13.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.798 0.332 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.783 HD22 HD11 ' A' ' 30' ' ' ILE . 1.1 m120 -73.22 154.52 40.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.458 ' CD1' ' O ' ' A' ' 36' ' ' ASN . 66.6 m-85 -155.72 135.47 12.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.799 ' O ' HG22 ' A' ' 42' ' ' ILE . 14.6 p -99.28 155.68 17.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.878 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.476 ' HA ' ' CG2' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -47.1 -39.26 12.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 179.918 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.66 -30.32 71.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.082 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 43' ' ' THR . 56.8 m -95.32 -66.31 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.799 HG22 ' O ' ' A' ' 38' ' ' CYS . 6.0 tp -36.96 -31.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 41' ' ' CYS . 98.7 m -74.93 -49.98 18.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.135 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.3 tpm_? -44.62 -36.57 3.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 8.8 t-105 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.1 t -135.9 116.77 14.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.88 0.371 . . . . 0.0 110.872 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -112.4 172.51 6.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.83 80.02 0.71 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.488 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -129.7 -61.62 1.0 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.846 0.355 . . . . 0.0 110.866 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.2 m -102.13 154.2 19.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.53 164.43 9.99 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.506 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -110.18 40.06 2.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.775 0.322 . . . . 0.0 111.048 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.449 HD22 ' HG2' ' A' ' 10' ' ' GLU . 2.4 tt -48.51 -61.14 2.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.449 ' HG2' HD22 ' A' ' 9' ' ' LEU . 11.3 pt-20 -171.27 114.33 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.433 ' CG ' ' O ' ' A' ' 10' ' ' GLU . 5.9 m-80 -162.56 131.87 4.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.926 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.431 ' N ' HD12 ' A' ' 12' ' ' LEU . 6.6 mp -86.38 81.08 8.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.943 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -168.77 137.71 2.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.6 t -123.96 138.75 52.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.125 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -148.67 158.62 44.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.542 ' HB3' ' HG3' ' A' ' 28' ' ' PRO . . . -113.76 -179.36 3.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.103 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 84.9 p -161.25 152.01 18.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.6 t -50.58 167.09 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.2 m -106.18 -37.18 6.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.5 t -71.52 -69.84 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.103 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.0 p -80.74 -15.46 56.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 23.9 mt 55.96 51.04 12.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -101.66 150.25 23.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.908 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -83.17 120.52 25.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.582 HD21 ' CB ' ' A' ' 38' ' ' CYS . 0.7 OUTLIER -123.86 164.28 19.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.956 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -89.48 -39.17 13.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -134.58 81.5 47.86 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.676 0.75 . . . . 0.0 110.871 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.542 ' HG3' ' HB3' ' A' ' 16' ' ' ALA . 54.3 Cg_endo -69.7 140.95 44.15 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.708 2.272 . . . . 0.0 112.354 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.7 t -74.86 102.37 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.433 ' CD1' HD22 ' A' ' 36' ' ' ASN . 27.6 mm -88.98 89.23 3.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.143 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 24.9 pt -61.6 176.9 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 33' ' ' CYS . 15.9 pt-20 -47.49 -46.86 27.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.421 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 0.8 OUTLIER -54.44 -54.29 42.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.925 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 130.16 -36.38 2.33 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.457 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -46.69 153.18 0.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.779 0.323 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.433 HD22 ' CD1' ' A' ' 30' ' ' ILE . 1.0 OUTLIER -88.43 140.79 29.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.913 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -147.02 132.14 18.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.696 ' O ' HG22 ' A' ' 42' ' ' ILE . 16.4 p -90.26 156.41 18.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.14 -44.35 21.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.48 -33.59 71.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 43' ' ' THR . 57.0 m -92.48 -69.71 0.73 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.696 HG22 ' O ' ' A' ' 38' ' ' CYS . 8.0 tp -37.1 -29.48 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.114 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.471 ' N ' ' O ' ' A' ' 41' ' ' CYS . 17.5 m -74.39 -48.19 29.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.13 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 41' ' ' CYS . 12.6 tpt180 -45.27 -38.09 5.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 10.5 t-105 -91.54 -43.45 9.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.976 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.528 ' CG ' ' O ' ' A' ' 46' ' ' TRP . 23.9 t90 -81.35 41.63 0.62 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.914 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.446 ' HG3' ' N ' ' A' ' 48' ' ' ASP . 11.4 pt-20 -74.1 -42.48 60.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.446 ' N ' ' HG3' ' A' ' 47' ' ' GLU . 3.1 p30 -102.72 175.07 5.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 51.2 mt -83.06 43.19 0.85 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -85.9 49.61 1.81 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 -44.12 -44.55 7.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -82.56 92.35 7.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.812 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.531 ' CG ' ' HD2' ' A' ' 54' ' ' PRO . 4.0 t80 -163.9 140.55 5.38 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.666 0.746 . . . . 0.0 110.91 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.531 ' HD2' ' CG ' ' A' ' 53' ' ' PHE . 54.1 Cg_endo -69.71 156.24 64.02 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.71 2.273 . . . . 0.0 112.309 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 37.5 t -58.75 137.17 86.79 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.601 0.715 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -48.24 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.69 2.26 . . . . 0.0 112.384 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.5 t -57.55 -55.66 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 59.5 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.952 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.7 m -134.8 154.69 51.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.892 0.377 . . . . 0.0 110.895 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -61.84 105.81 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.72 -141.34 3.9 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.471 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.7 m -45.08 148.54 0.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.833 0.349 . . . . 0.0 110.872 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.7 m -159.37 124.05 4.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.808 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.53 148.59 20.35 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.49 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -49.0 116.81 1.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.798 0.332 . . . . 0.0 111.082 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 22.4 mt -115.37 106.97 14.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -142.33 164.55 29.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.1 p30 -114.83 43.4 1.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.0 mp 48.94 43.3 21.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -93.02 70.47 4.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.1 m -88.37 149.34 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.119 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.434 ' C ' ' CD ' ' A' ' 15' ' ' GLU . 2.1 pp20? -138.08 139.08 39.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -110.91 139.66 46.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.13 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.2 t -145.75 150.96 37.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.4 t -49.23 163.43 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.0 m -98.73 -18.38 18.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 77.3 t -98.1 -67.67 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.155 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.9 p -79.79 -4.01 50.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 16.3 mt 42.63 53.87 4.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.405 ' O ' HD12 ' A' ' 25' ' ' LEU . 3.8 tt0 -108.06 143.52 36.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -78.86 120.27 23.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.488 HD21 ' HB3' ' A' ' 38' ' ' CYS . 0.9 OUTLIER -121.13 177.5 5.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.949 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.4 tttt -97.78 -45.08 6.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -131.93 82.74 58.86 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.619 0.723 . . . . 0.0 110.855 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 156.49 63.05 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.7 2.267 . . . . 0.0 112.342 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.3 t -86.39 92.12 3.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 81.8 mt -82.48 107.71 14.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 20.1 pt -82.24 -176.49 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.427 ' H ' ' CD ' ' A' ' 32' ' ' GLU . 17.8 mp0 -52.77 -45.55 67.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -54.61 -58.27 8.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 136.89 -35.87 2.04 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.49 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.5 m170 -48.99 158.15 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.85 0.357 . . . . 0.0 110.855 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -96.73 147.92 23.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -151.92 133.72 14.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.655 ' O ' HG22 ' A' ' 42' ' ' ILE . 17.8 p -93.69 155.91 16.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.573 ' O ' HG22 ' A' ' 43' ' ' THR . 8.0 tppt? -49.78 -40.56 41.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.939 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.503 ' C ' HG22 ' A' ' 43' ' ' THR . . . -59.73 -34.6 73.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 63.5 m -92.58 -67.29 0.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.655 HG22 ' O ' ' A' ' 38' ' ' CYS . 4.8 tp -39.46 -36.0 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.573 HG22 ' O ' ' A' ' 39' ' ' LYS . 1.9 t -48.12 -50.24 29.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.448 ' N ' HG23 ' A' ' 43' ' ' THR . 72.9 ttt-85 -50.59 -43.32 56.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 10.7 t-105 -89.9 24.17 2.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.434 ' O ' ' C ' ' A' ' 47' ' ' GLU . 1.9 t90 -123.71 -40.29 2.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.912 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 46' ' ' TRP . 8.9 tt0 -35.4 -40.34 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -91.44 79.64 5.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.839 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.652 HD23 ' H ' ' A' ' 49' ' ' LEU . 1.6 pt? -83.8 20.58 1.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -114.08 -46.84 2.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.586 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 68.2 mmt-85 -78.23 162.82 26.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.824 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.34 123.46 40.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.586 ' CZ ' ' HB3' ' A' ' 51' ' ' ARG . 26.0 m-85 -141.21 143.83 32.25 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.641 0.734 . . . . 0.0 110.886 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 176.68 6.42 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.718 2.279 . . . . 0.0 112.363 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 54.1 t -51.81 134.32 37.21 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.636 0.732 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -44.37 2.16 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.708 2.272 . . . . 0.0 112.345 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 76.8 t -61.71 -52.83 56.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.112 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 85.0 m . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.959 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 m 40.83 42.16 1.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.899 0.381 . . . . 0.0 110.876 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.3 p -128.12 123.26 34.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.84 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.9 -64.73 0.43 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.489 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.5 p -120.7 84.35 2.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 0.0 110.793 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 m -165.03 177.07 8.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.32 -145.94 6.96 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -97.94 39.73 1.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.848 0.356 . . . . 0.0 111.127 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.592 HD23 ' O ' ' A' ' 9' ' ' LEU . 0.7 OUTLIER -67.2 126.62 29.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -108.34 131.7 54.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -80.51 94.71 6.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 mp -142.5 123.39 14.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -127.0 41.5 3.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.0 m -82.46 159.14 3.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.107 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -167.81 133.12 1.9 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.597 ' HB1' ' HG3' ' A' ' 28' ' ' PRO . . . -74.08 126.73 31.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.2 p -159.53 149.55 18.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.6 t -45.67 167.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.847 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.5 m -105.76 -32.97 8.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 83.5 t -77.06 -67.21 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.11 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.8 p -82.24 -18.68 41.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.3 mt 58.44 52.6 6.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.945 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.426 ' O ' HD12 ' A' ' 25' ' ' LEU . 13.7 tt0 -104.27 148.37 26.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -80.38 127.49 32.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.911 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.461 HD21 ' HB3' ' A' ' 38' ' ' CYS . 1.1 mp -131.43 162.6 29.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.896 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -85.58 -40.1 16.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -133.13 86.56 41.84 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.668 0.747 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.597 ' HG3' ' HB1' ' A' ' 16' ' ' ALA . 53.8 Cg_endo -69.72 136.0 31.99 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.679 2.252 . . . . 0.0 112.331 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.2 t -75.08 91.37 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.159 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.581 HD11 ' CG ' ' A' ' 36' ' ' ASN . 46.2 mm -88.43 113.69 25.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.591 HD11 ' SG ' ' A' ' 33' ' ' CYS . 41.0 pt -84.83 -178.54 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -54.54 -46.71 73.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.591 ' SG ' HD11 ' A' ' 31' ' ' ILE . 1.0 OUTLIER -48.71 -39.46 24.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.403 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . 101.4 46.54 1.67 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.477 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 48.7 m170 -133.26 151.23 51.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.812 0.339 . . . . 0.0 110.84 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.581 ' CG ' HD11 ' A' ' 30' ' ' ILE . 2.1 m-80 -87.97 146.21 25.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.418 ' HE1' HG23 ' A' ' 57' ' ' VAL . 82.1 m-85 -155.92 130.27 8.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.695 ' SG ' ' HB3' ' A' ' 40' ' ' ALA . 19.2 p -88.93 140.58 29.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.48 ' HA ' ' CG2' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -37.52 -27.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.886 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.695 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . . . -66.88 -49.57 65.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.068 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.472 ' O ' ' N ' ' A' ' 43' ' ' THR . 76.9 m -80.32 -66.09 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.48 ' CG2' ' HA ' ' A' ' 39' ' ' LYS . 9.0 tp -36.07 -30.81 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.149 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.472 ' N ' ' O ' ' A' ' 41' ' ' CYS . 15.9 m -76.42 -63.65 1.28 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.411 ' HD2' ' C ' ' A' ' 44' ' ' ARG . 0.5 OUTLIER -39.25 -28.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.449 ' N ' ' O ' ' A' ' 43' ' ' THR . 4.3 t-105 -96.82 -37.45 10.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.526 ' O ' ' CG ' ' A' ' 46' ' ' TRP . 21.4 t90 -90.85 37.63 0.93 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.938 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -49.68 -62.51 1.52 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -86.37 152.74 22.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.5 mp -96.73 80.39 3.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -119.84 -59.0 1.84 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -174.17 150.8 1.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.829 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -114.25 42.37 2.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.492 ' N ' ' HD2' ' A' ' 54' ' ' PRO . 6.5 m-85 -69.57 -60.35 3.98 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.628 0.728 . . . . 0.0 110.857 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 53' ' ' PHE . 53.5 Cg_endo -69.74 126.85 13.81 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.668 2.245 . . . . 0.0 112.407 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 36.2 t -110.19 137.35 20.55 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.609 0.718 . . . . 0.0 110.94 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -36.27 11.07 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.689 2.26 . . . . 0.0 112.344 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.418 HG23 ' HE1' ' A' ' 37' ' ' PHE . 91.0 t -71.51 -58.39 5.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.103 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 97.1 m . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.826 -179.943 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.6 p -144.64 167.93 21.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.879 0.371 . . . . 0.0 110.852 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.2 t -130.75 101.01 5.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.847 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.61 106.65 0.25 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.485 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.6 p -84.73 -44.13 13.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.881 0.372 . . . . 0.0 110.845 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.8 m -151.28 110.43 3.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.847 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.05 113.87 1.12 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.479 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.15 -43.21 92.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.835 0.35 . . . . 0.0 111.131 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.9 tt -55.49 100.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -121.23 -48.11 2.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -71.59 142.16 50.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.582 HD12 ' C ' ' A' ' 12' ' ' LEU . 2.0 pp -112.76 172.09 7.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.5 mm100 -131.31 145.21 51.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.6 m -53.06 138.73 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -111.43 152.31 27.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.819 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.461 ' HB1' ' HG3' ' A' ' 28' ' ' PRO . . . -104.52 143.14 33.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.119 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.4 t -159.69 153.1 22.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.852 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.5 t -56.8 167.21 0.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.2 m -102.4 -27.45 12.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.814 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 74.6 t -87.19 -65.84 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.106 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.0 p -80.34 -20.72 43.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.5 mt 59.53 54.26 4.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.444 ' O ' HD12 ' A' ' 25' ' ' LEU . 25.8 mm-40 -107.21 146.76 31.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.859 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -80.53 115.58 20.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.444 HD12 ' O ' ' A' ' 23' ' ' GLU . 0.6 OUTLIER -119.89 174.34 6.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.943 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.46 ' HD3' ' N ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -97.83 -40.7 8.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 179.867 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -133.84 82.37 49.98 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.631 0.729 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.461 ' HG3' ' HB1' ' A' ' 16' ' ' ALA . 53.7 Cg_endo -69.78 147.31 62.44 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.684 2.256 . . . . 0.0 112.296 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.5 t -79.61 84.97 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 56.6 mt -74.07 99.75 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 42.7 pt -67.1 177.11 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.142 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -51.15 -46.8 62.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -52.52 -59.04 4.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 139.92 -29.82 2.41 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 23.3 m170 -57.44 141.48 47.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.807 0.337 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -79.86 148.67 31.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -154.54 135.37 13.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.429 ' HB3' HD21 ' A' ' 25' ' ' LEU . 16.5 p -93.43 152.83 18.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.57 ' HA ' HG22 ' A' ' 42' ' ' ILE . 8.9 ttmt -46.72 -42.37 16.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.528 ' C ' HG22 ' A' ' 43' ' ' THR . . . -58.47 -30.93 67.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.078 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 56.8 m -95.03 -64.39 1.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.57 HG22 ' HA ' ' A' ' 39' ' ' LYS . 4.7 tp -44.43 -26.45 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.528 HG22 ' C ' ' A' ' 40' ' ' ALA . 3.3 t -57.33 -45.01 84.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.142 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.405 ' N ' HG23 ' A' ' 43' ' ' THR . 26.0 ttm180 -45.87 -52.8 10.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.861 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 7.7 t-105 -74.95 -47.02 31.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.437 ' CG ' ' O ' ' A' ' 46' ' ' TRP . 23.4 t90 -80.55 42.85 0.63 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.916 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -71.96 -58.67 3.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -125.25 43.86 2.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.1 mt 51.99 50.83 17.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.957 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -77.47 47.85 0.61 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -57.24 -177.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 70.65 42.82 0.8 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -147.05 142.31 16.87 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.664 0.745 . . . . 0.0 110.871 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 163.47 38.1 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.713 2.275 . . . . 0.0 112.326 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 39.5 t -53.04 137.01 47.57 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.614 0.721 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -47.96 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.648 2.232 . . . . 0.0 112.337 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.405 ' O ' ' C ' ' A' ' 58' ' ' CYS . 85.1 t -57.47 -66.95 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 57' ' ' VAL . 72.9 m . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.6 m -122.24 156.76 33.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.883 0.373 . . . . 0.0 110.806 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -134.64 145.03 48.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.866 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.01 -165.68 26.52 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.521 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.0 t 51.88 41.87 29.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.857 0.361 . . . . 0.0 110.891 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.8 t -130.03 144.8 51.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.835 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.03 150.05 5.14 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.5 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -169.63 105.84 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.799 0.333 . . . . 0.0 111.096 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.8 mt -136.44 144.49 44.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 42.29 41.02 1.98 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 42.9 p-10 -62.44 115.37 4.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.45 HD11 ' OE2' ' A' ' 15' ' ' GLU . 0.5 OUTLIER -41.51 107.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -41.81 154.53 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.93 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.0 m -53.58 132.18 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.45 ' OE2' HD11 ' A' ' 12' ' ' LEU . 10.1 mm-40 -104.89 158.63 16.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.829 ' HB1' ' HG3' ' A' ' 28' ' ' PRO . . . -77.03 147.75 36.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.5 p -173.59 156.98 3.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.6 t -60.05 166.91 2.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 71.8 m -103.37 -34.48 8.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 97.5 t -79.54 -70.05 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.158 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 32.1 p -77.06 -18.86 57.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.5 mt 56.83 53.28 8.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.414 ' HG2' ' N ' ' A' ' 24' ' ' TYR . 42.0 tt0 -101.67 162.1 13.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.414 ' N ' ' HG2' ' A' ' 23' ' ' GLU . 37.8 t80 -90.49 111.83 23.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.916 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.667 HD21 ' HB3' ' A' ' 38' ' ' CYS . 1.1 mp -119.86 152.35 37.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.927 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -76.7 -43.71 36.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -131.89 80.95 64.08 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.621 0.724 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.829 ' HG3' ' HB1' ' A' ' 16' ' ' ALA . 53.3 Cg_endo -69.83 139.63 40.45 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.65 2.233 . . . . 0.0 112.301 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.4 t -69.43 96.46 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.175 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.46 HD11 ' OD1' ' A' ' 36' ' ' ASN . 80.7 mt -101.44 104.54 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 40.0 pt -73.99 -175.44 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -83.43 37.18 0.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 1.1 p -116.28 -40.36 3.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.424 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . 115.86 38.04 1.0 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.556 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.405 ' CD2' ' O ' ' A' ' 34' ' ' GLY . 32.2 m170 -146.49 158.11 43.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.789 0.328 . . . . 0.0 110.87 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.46 ' OD1' HD11 ' A' ' 30' ' ' ILE . 2.5 m-80 -108.38 148.63 29.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.499 ' HE1' HG23 ' A' ' 57' ' ' VAL . 53.4 m-85 -155.57 144.58 20.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.667 ' HB3' HD21 ' A' ' 25' ' ' LEU . 14.8 p -99.51 155.48 17.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.589 ' O ' HG22 ' A' ' 43' ' ' THR . 0.4 OUTLIER -48.7 -45.63 39.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.909 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.516 ' C ' HG22 ' A' ' 43' ' ' THR . . . -55.42 -32.8 63.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.06 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.462 ' O ' ' N ' ' A' ' 43' ' ' THR . 61.8 m -94.72 -67.71 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.554 HG22 ' O ' ' A' ' 38' ' ' CYS . 8.3 tp -40.26 -24.99 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.589 HG22 ' O ' ' A' ' 39' ' ' LYS . 5.3 t -66.95 -49.28 65.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.135 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.504 ' N ' HG23 ' A' ' 43' ' ' THR . 5.0 ptm180 -53.46 -37.59 62.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.558 ' CD1' ' HB2' ' A' ' 54' ' ' PRO . 9.4 t-105 -80.12 -47.51 14.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.441 ' O ' ' C ' ' A' ' 47' ' ' GLU . 2.0 t90 -36.82 -40.88 0.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 46' ' ' TRP . 10.8 tt0 -34.34 -44.26 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -60.31 83.69 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.77 -24.6 65.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -51.35 -45.77 62.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -96.1 150.1 20.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.29 -61.82 1.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -116.32 65.43 3.01 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.636 0.731 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.558 ' HB2' ' CD1' ' A' ' 45' ' ' TRP . 53.5 Cg_endo -69.79 152.19 69.11 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.68 2.253 . . . . 0.0 112.322 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 49.0 t -144.86 125.66 7.53 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.645 0.735 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -45.53 1.57 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.694 2.263 . . . . 0.0 112.367 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.499 HG23 ' HE1' ' A' ' 37' ' ' PHE . 57.3 t -58.27 -56.27 17.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.181 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 16.8 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.99 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.5 t -174.36 132.34 0.38 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.868 0.366 . . . . 0.0 110.88 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -155.64 155.2 32.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.57 -176.64 17.89 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.47 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.4 t -171.69 136.09 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.858 0.361 . . . . 0.0 110.894 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.0 m -145.73 149.25 34.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.82 -139.62 4.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.458 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 9' ' ' LEU . . . -93.78 -62.26 1.39 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.844 0.354 . . . . 0.0 111.095 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 8' ' ' ALA . 19.3 mt 35.94 41.89 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -53.07 95.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -123.77 84.13 2.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 32.3 tp -69.95 98.49 1.28 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -140.59 116.52 10.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.0 t -95.19 137.99 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -126.65 133.37 51.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.426 ' CB ' ' HG3' ' A' ' 28' ' ' PRO . . . -63.56 176.79 0.79 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.114 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.5 t -175.03 153.0 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.4 t -64.59 169.08 5.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.4 m -103.55 -40.57 6.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.837 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 86.5 t -71.16 -68.77 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.115 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.4 p -77.3 -28.8 53.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 16.6 mt 66.98 51.41 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.424 ' O ' HD12 ' A' ' 25' ' ' LEU . 41.7 mt-10 -106.69 150.91 25.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -83.36 117.28 22.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.936 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.781 HD21 ' HB3' ' A' ' 38' ' ' CYS . 1.6 mp -118.17 170.42 8.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.877 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.485 ' HG2' ' N ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -97.33 -35.18 10.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.843 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.485 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 15.8 mm-40 -134.97 77.04 57.39 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.621 0.725 . . . . 0.0 110.929 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.426 ' HG3' ' CB ' ' A' ' 16' ' ' ALA . 54.0 Cg_endo -69.7 142.58 48.56 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.696 2.264 . . . . 0.0 112.345 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 81.4 t -74.63 95.29 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.581 HG23 ' O ' ' A' ' 34' ' ' GLY . 30.5 mt -94.86 95.89 5.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.658 HD11 ' SG ' ' A' ' 33' ' ' CYS . 38.5 pt -71.88 176.59 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.122 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -48.31 -43.54 33.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.919 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.658 ' SG ' HD11 ' A' ' 31' ' ' ILE . 0.8 OUTLIER -59.02 -34.21 71.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.581 ' O ' HG23 ' A' ' 30' ' ' ILE . . . 113.58 -49.62 0.83 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.452 ' C ' ' O ' ' A' ' 34' ' ' GLY . 44.9 m170 -33.54 146.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.321 . . . . 0.0 110.863 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -102.96 150.97 23.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -155.64 131.9 10.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.781 ' HB3' HD21 ' A' ' 25' ' ' LEU . 29.6 p -80.58 144.78 32.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.479 ' HA ' ' CG2' ' A' ' 42' ' ' ILE . 3.4 mtmp? -32.02 -41.28 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . -60.5 -66.22 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.094 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 42' ' ' ILE . 92.5 m -58.56 -65.32 0.67 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.737 HG22 ' O ' ' A' ' 38' ' ' CYS . 5.6 tp -36.12 -37.87 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.085 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.0 m -66.66 -49.79 65.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.17 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 41' ' ' CYS . 22.7 ttt180 -43.71 -41.59 4.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.518 ' CD1' ' HD3' ' A' ' 56' ' ' PRO . 12.9 t-105 -89.49 -60.14 2.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.466 ' O ' ' CD1' ' A' ' 46' ' ' TRP . 2.1 t90 -36.33 -40.55 0.24 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 46' ' ' TRP . 15.4 mt-10 -34.11 -45.27 0.2 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.833 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 49' ' ' LEU . 1.1 m-20 -79.34 120.36 23.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 48' ' ' ASP . 61.1 mt -36.29 138.96 0.18 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 51' ' ' ARG . 35.4 mm-40 -81.64 43.59 0.76 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.471 ' HG2' ' N ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -38.15 -38.23 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.906 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.473 ' O ' ' C ' ' A' ' 53' ' ' PHE . 0.6 OUTLIER -134.99 40.59 2.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.473 ' C ' ' O ' ' A' ' 52' ' ' ASP . 5.6 t80 32.41 54.79 1.06 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.624 0.726 . . . . 0.0 110.891 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.433 ' CD ' ' N ' ' A' ' 53' ' ' PHE . 54.0 Cg_endo -69.74 165.1 32.08 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.69 2.26 . . . . 0.0 112.335 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 44.3 t -138.44 134.64 17.6 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.604 0.716 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.518 ' HD3' ' CD1' ' A' ' 45' ' ' TRP . 53.6 Cg_endo -69.77 -4.65 14.46 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.7 2.266 . . . . 0.0 112.308 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.403 ' HB ' ' ND1' ' A' ' 35' ' ' HIS . 24.3 t -115.81 -72.66 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 57' ' ' VAL . 79.3 m . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.8 m -104.22 132.84 50.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.877 0.37 . . . . 0.0 110.864 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.9 t -135.43 144.04 46.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.15 -166.57 17.63 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.53 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t -116.29 160.47 20.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.899 0.38 . . . . 0.0 110.902 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.9 p -139.36 131.14 27.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.96 171.87 54.37 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.51 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -125.3 38.37 4.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.855 0.36 . . . . 0.0 111.117 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.3 tp -86.54 116.58 24.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.525 ' O ' HD12 ' A' ' 12' ' ' LEU . 16.2 pt-20 -109.72 -47.73 3.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.89 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.458 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 70.8 m-20 60.9 44.17 10.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.861 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.525 HD12 ' O ' ' A' ' 10' ' ' GLU . 5.7 mp -112.6 41.73 1.98 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -43.52 157.87 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.469 HG22 ' N ' ' A' ' 15' ' ' GLU . 13.5 p -112.25 158.73 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.469 ' N ' HG22 ' A' ' 14' ' ' VAL . 16.7 mm-40 -127.21 170.12 12.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.53 120.27 24.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.08 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.7 m -155.13 152.49 29.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.6 t -50.96 166.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 81.1 p -104.0 -36.62 7.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 98.7 t -73.46 -72.85 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.145 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.2 p -76.05 -19.21 58.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.3 mt 58.51 52.26 7.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -102.12 163.03 12.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -94.93 117.26 29.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.655 HD21 ' CB ' ' A' ' 38' ' ' CYS . 0.3 OUTLIER -123.46 152.22 41.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.919 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.9 mttm -78.68 -44.34 23.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -132.41 77.36 70.35 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.6 0.714 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.541 ' HG2' HD11 ' A' ' 30' ' ' ILE . 53.1 Cg_endo -69.8 176.96 6.1 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.672 2.248 . . . . 0.0 112.328 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.4 t -103.27 111.68 33.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.541 HD11 ' HG2' ' A' ' 28' ' ' PRO . 5.2 mp -112.06 105.79 19.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.097 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.462 HD11 ' SG ' ' A' ' 33' ' ' CYS . 44.6 pt -80.98 -176.46 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.118 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -60.61 -46.19 91.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.487 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 0.9 OUTLIER -39.49 -44.15 1.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.863 -179.888 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.487 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . 104.42 52.5 0.87 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.505 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.434 ' CD2' ' O ' ' A' ' 34' ' ' GLY . 43.9 m170 -141.97 165.34 27.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.0 110.832 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -105.07 142.07 35.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -152.45 138.14 17.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.722 ' O ' HG22 ' A' ' 42' ' ' ILE . 17.1 p -92.82 160.61 14.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.479 ' HA ' ' CG2' ' A' ' 42' ' ' ILE . 38.5 mmtm -57.81 -29.42 64.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.453 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . . . -69.42 -31.02 69.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.079 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 43' ' ' THR . 69.5 m -95.04 -65.92 0.95 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.722 HG22 ' O ' ' A' ' 38' ' ' CYS . 6.7 tp -36.24 -31.45 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.135 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.557 HG23 ' N ' ' A' ' 44' ' ' ARG . 8.8 t -64.59 -48.44 74.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.557 ' N ' HG23 ' A' ' 43' ' ' THR . 56.6 ttm-85 -45.89 -50.99 13.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.836 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 6.3 t-105 -77.44 -40.07 44.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.471 ' O ' ' CG ' ' A' ' 46' ' ' TRP . 25.6 t90 -89.17 46.31 1.37 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.447 ' O ' ' CG ' ' A' ' 48' ' ' ASP . 19.7 tt0 -62.8 77.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.871 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.447 ' CG ' ' O ' ' A' ' 47' ' ' GLU . 1.9 p30 46.54 49.83 13.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.512 HD22 HH12 ' A' ' 51' ' ' ARG . 96.4 mt -113.5 108.67 17.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.18 -41.75 84.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.512 HH12 HD22 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -60.01 160.71 7.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.9 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -103.53 107.46 18.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.505 ' CE1' HD13 ' A' ' 49' ' ' LEU . 34.9 m-85 -88.06 153.04 51.51 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.678 0.751 . . . . 0.0 110.859 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 126.88 13.85 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.694 2.263 . . . . 0.0 112.382 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 8.9 t -45.46 139.47 4.57 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.614 0.721 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -50.81 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.673 2.249 . . . . 0.0 112.341 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.4 t -51.65 -51.98 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.058 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 93.8 m . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.97 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.0 p -145.16 146.54 31.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.909 0.385 . . . . 0.0 110.823 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.0 t -94.35 -45.19 7.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.86 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.03 82.32 1.51 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.504 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.4 p -100.67 41.44 1.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.861 0.363 . . . . 0.0 110.865 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.0 p -59.85 171.6 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.811 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.69 68.43 0.6 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.487 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.23 79.14 9.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.812 0.339 . . . . 0.0 111.103 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.8 tp -102.51 105.21 15.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -115.62 120.56 39.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -172.67 107.25 0.18 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.8 tp -112.85 82.34 1.64 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -94.15 133.3 37.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.2 p -121.98 144.65 30.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -108.15 138.71 43.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.48 ' HB1' ' HG3' ' A' ' 28' ' ' PRO . . . -53.45 151.79 5.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.094 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 75.6 p -174.27 156.97 2.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.6 t -58.48 167.25 1.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 79.8 p -102.84 -39.53 6.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.2 t -73.12 -71.72 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.102 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.7 p -74.68 -25.83 59.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.8 mt 65.09 54.77 1.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.54 ' O ' HD12 ' A' ' 25' ' ' LEU . 9.2 tp10 -105.44 150.92 24.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -83.59 117.48 23.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.962 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.618 HD21 ' HB3' ' A' ' 38' ' ' CYS . 1.3 mp -125.26 159.98 30.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.916 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.3 ttmm -81.75 -46.4 14.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -130.27 82.54 65.43 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.652 0.739 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.48 ' HG3' ' HB1' ' A' ' 16' ' ' ALA . 53.7 Cg_endo -69.79 143.61 51.25 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.657 2.238 . . . . 0.0 112.365 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 99.7 t -78.44 95.76 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.559 HG23 ' O ' ' A' ' 35' ' ' HIS . 54.5 mt -96.24 105.97 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 47.5 pt -71.91 -176.7 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -82.46 39.35 0.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.448 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 1.0 OUTLIER -117.74 -41.53 2.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.475 ' O ' ' CD2' ' A' ' 35' ' ' HIS . . . 117.83 41.83 0.64 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.519 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.559 ' O ' HG23 ' A' ' 30' ' ' ILE . 29.1 m170 -149.7 179.12 8.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.839 0.352 . . . . 0.0 110.835 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -123.75 150.31 44.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.918 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -153.65 144.4 22.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.682 ' O ' HG22 ' A' ' 42' ' ' ILE . 27.1 p -95.55 146.83 24.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.471 ' HA ' ' CG2' ' A' ' 42' ' ' ILE . 0.9 OUTLIER -35.66 -30.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . -70.31 -55.83 8.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.102 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.473 ' O ' ' N ' ' A' ' 43' ' ' THR . 92.9 m -67.03 -63.29 1.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.926 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.682 HG22 ' O ' ' A' ' 38' ' ' CYS . 3.9 tp -36.04 -31.61 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 41' ' ' CYS . 25.0 m -63.73 -55.42 23.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.169 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 43' ' ' THR . 24.0 ttt180 -37.72 -46.04 0.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 5.3 t-105 -83.23 -40.03 20.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.469 ' O ' ' C ' ' A' ' 47' ' ' GLU . 2.2 t90 -40.59 -42.03 1.6 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.469 ' C ' ' O ' ' A' ' 46' ' ' TRP . 14.1 tp10 -32.67 -38.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 46' ' ' TRP . 7.8 t0 -88.65 124.01 33.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.4 mt -40.2 161.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -79.18 44.84 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 52' ' ' ASP . 68.9 mtp180 -116.11 124.14 49.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 51' ' ' ARG . 8.0 t0 35.26 45.82 0.22 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.596 ' CD2' ' O ' ' A' ' 53' ' ' PHE . 30.1 p90 -95.48 106.89 29.55 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.64 0.734 . . . . 0.0 110.929 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' ' 53' ' ' PHE . 53.7 Cg_endo -69.75 -169.36 0.32 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.666 2.244 . . . . 0.0 112.379 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 45.2 t -117.44 132.28 23.63 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.609 0.719 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 1.86 4.11 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.671 2.247 . . . . 0.0 112.309 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.437 ' O ' ' C ' ' A' ' 58' ' ' CYS . 43.1 t -116.96 -67.16 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.142 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.437 ' C ' ' O ' ' A' ' 57' ' ' VAL . 95.1 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -142.27 166.62 24.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 110.863 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 t -160.51 158.79 29.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.77 -73.2 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.498 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.6 m -120.41 123.35 42.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.818 0.342 . . . . 0.0 110.864 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -115.77 155.47 27.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.89 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.99 68.48 0.48 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.3 148.31 27.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.865 0.364 . . . . 0.0 111.076 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.4 mt -87.37 134.31 33.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.952 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -95.38 82.15 3.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -168.22 131.78 1.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.1 mp -93.18 42.89 1.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 55.38 46.1 24.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.953 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.4 t -88.67 33.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.445 ' HG3' ' N ' ' A' ' 16' ' ' ALA . 24.2 tp10 -85.91 158.54 19.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.445 ' N ' ' HG3' ' A' ' 15' ' ' GLU . . . -38.61 146.16 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 85.1 p -165.44 152.23 10.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.833 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.6 t -53.73 160.46 1.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.4 m -101.5 -3.85 27.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.7 t -113.18 -55.31 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.159 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.477 ' O ' ' N ' ' A' ' 23' ' ' GLU . 24.6 p -102.63 15.58 28.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.51 ' N ' HD22 ' A' ' 22' ' ' LEU . 3.0 mm? 34.01 34.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 21' ' ' CYS . 36.5 tt0 -73.4 148.99 42.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -89.37 122.33 32.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.35 159.5 41.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.0 tppt? -87.93 -46.02 9.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.4 tp10 -126.39 84.15 62.73 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.69 0.757 . . . . 0.0 110.932 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.406 ' HG3' ' HB1' ' A' ' 16' ' ' ALA . 53.5 Cg_endo -69.75 155.82 64.97 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.679 2.253 . . . . 0.0 112.356 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.0 t -80.96 102.78 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.134 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.529 ' CD1' ' ND2' ' A' ' 36' ' ' ASN . 36.5 mm -94.33 116.44 35.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.185 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.4 pt -95.2 -175.29 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.177 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -51.38 -42.79 61.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.24 -35.08 79.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.86 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.524 ' O ' HG23 ' A' ' 30' ' ' ILE . . . 112.1 -50.23 0.79 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.472 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 34' ' ' GLY . 47.6 m170 -34.65 142.56 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.819 0.342 . . . . 0.0 110.858 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.701 ' N ' HD22 ' A' ' 36' ' ' ASN . 0.7 OUTLIER -89.17 154.72 19.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -155.09 139.99 17.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.618 ' O ' HG22 ' A' ' 42' ' ' ILE . 14.5 p -91.45 151.73 20.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.481 ' HA ' ' CG2' ' A' ' 42' ' ' ILE . 6.3 mtmp? -48.79 -37.85 20.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.443 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . . . -61.58 -31.19 71.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.086 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 42' ' ' ILE . 56.4 m -94.78 -68.72 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.618 HG22 ' O ' ' A' ' 38' ' ' CYS . 6.0 tp -37.4 -39.92 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.088 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.497 HG23 ' N ' ' A' ' 44' ' ' ARG . 5.9 t -46.97 -47.94 21.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.497 ' N ' HG23 ' A' ' 43' ' ' THR . 24.9 ttm180 -58.02 -43.22 86.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.475 ' CD1' ' HB2' ' A' ' 53' ' ' PHE . 9.6 t-105 -90.36 22.95 3.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.44 ' O ' ' C ' ' A' ' 47' ' ' GLU . 1.7 t90 -110.93 -45.19 3.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 46' ' ' TRP . 11.8 tt0 -35.47 -36.66 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -90.61 56.86 3.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.854 ' O ' HD22 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -81.48 11.07 4.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.899 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -79.25 -57.88 3.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.427 ' HD2' ' N ' ' A' ' 51' ' ' ARG . 2.6 mpt_? -106.44 153.76 21.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -49.24 100.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.475 ' HB2' ' CD1' ' A' ' 45' ' ' TRP . 19.7 p90 -72.4 113.02 17.17 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.665 0.745 . . . . 0.0 110.875 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 114.75 3.81 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.698 2.265 . . . . 0.0 112.353 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 36.9 t -39.41 135.07 1.17 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.674 0.75 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 -42.0 3.7 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.655 2.237 . . . . 0.0 112.301 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.445 ' O ' ' C ' ' A' ' 58' ' ' CYS . 45.8 t -62.47 -66.9 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.109 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.445 ' C ' ' O ' ' A' ' 57' ' ' VAL . 85.8 m . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 m -161.61 157.34 24.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.835 0.35 . . . . 0.0 110.851 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -162.17 147.92 13.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.852 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.29 130.7 2.22 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.48 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.8 p -141.61 125.88 17.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.927 0.394 . . . . 0.0 110.842 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.2 m -147.23 128.38 14.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.829 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.85 140.69 6.61 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.488 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -155.39 142.75 19.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.795 0.331 . . . . 0.0 111.113 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.3 mp -79.0 142.74 36.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.95 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -85.85 -25.02 26.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.926 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -150.57 137.36 19.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.777 ' O ' HD12 ' A' ' 12' ' ' LEU . 3.8 pp -83.43 44.28 0.95 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.914 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -118.45 140.08 50.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.8 t -110.09 141.33 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 16' ' ' ALA . 6.6 mm-40 -76.01 137.45 40.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 15' ' ' GLU . . . -34.54 144.22 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.091 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.1 m -165.04 158.71 17.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.6 t -56.57 167.09 0.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 73.3 m -103.34 -27.99 12.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.619 ' O ' HD23 ' A' ' 22' ' ' LEU . 79.1 t -88.34 -64.47 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.153 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.488 ' C ' HD23 ' A' ' 22' ' ' LEU . 29.9 p -86.58 1.22 52.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.63 HD23 ' N ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER 34.38 51.6 0.46 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -100.2 148.67 24.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -81.93 123.54 28.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.924 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.716 HD21 ' HB3' ' A' ' 38' ' ' CYS . 0.2 OUTLIER -129.55 161.35 30.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.1 mmtp -96.45 -36.62 10.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -129.69 72.76 81.89 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.648 0.737 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -172.96 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.694 2.263 . . . . 0.0 112.345 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.8 t -127.25 101.17 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.2 mp -95.51 85.42 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.178 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.418 HD11 ' SG ' ' A' ' 33' ' ' CYS . 39.7 pt -51.74 -174.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -80.72 40.28 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.418 ' SG ' HD11 ' A' ' 31' ' ' ILE . 0.7 OUTLIER -128.4 -31.46 2.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 117.46 -51.73 0.72 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -51.25 169.42 0.05 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.778 0.323 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -111.01 151.84 27.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -153.86 138.76 17.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.716 ' HB3' HD21 ' A' ' 25' ' ' LEU . 31.8 p -95.45 147.05 23.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 38' ' ' CYS . 3.3 tptt -33.33 -42.7 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.08 -67.87 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 81.2 m -57.3 -65.26 0.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.591 HG22 ' O ' ' A' ' 38' ' ' CYS . 9.4 tp -39.1 -32.28 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.186 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 45' ' ' TRP . 3.1 m -76.51 -61.61 1.9 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.138 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -40.71 -25.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.453 ' N ' ' O ' ' A' ' 43' ' ' THR . 4.9 t-105 -101.29 -34.16 9.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.934 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.54 ' O ' ' CG ' ' A' ' 46' ' ' TRP . 19.8 t90 -93.03 31.82 1.37 Allowed 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -76.35 -62.64 1.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -74.15 107.18 6.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -59.73 -54.94 40.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 51' ' ' ARG . 2.5 tp10 -39.09 -62.09 0.68 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 51' ' ' ARG . 9.5 ttp-105 -36.05 144.71 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.851 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -130.63 34.29 4.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.564 ' CD1' ' HD2' ' A' ' 54' ' ' PRO . 2.6 t80 -78.41 134.35 62.47 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.708 0.766 . . . . 0.0 110.847 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.564 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 54.0 Cg_endo -69.76 177.84 5.17 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.671 2.247 . . . . 0.0 112.404 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 41.4 t -45.45 134.87 5.84 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.629 0.728 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 -27.61 25.87 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.657 2.238 . . . . 0.0 112.294 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.8 t -79.7 -63.39 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.1 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 87.3 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.95 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.4 p -151.71 159.32 44.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.886 0.374 . . . . 0.0 110.86 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.8 p -134.07 144.84 48.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.788 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.441 ' HA2' HD21 ' A' ' 9' ' ' LEU . . . -125.27 147.2 16.46 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.515 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -139.61 169.83 17.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.846 0.355 . . . . 0.0 110.888 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -47.3 103.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.91 -148.07 51.28 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.44 166.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.821 0.343 . . . . 0.0 111.099 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.441 HD21 ' HA2' ' A' ' 4' ' ' GLY . 6.6 mp -125.23 165.58 18.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.945 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -116.71 91.12 3.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -149.15 142.78 25.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.5 mt -144.43 146.04 32.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.929 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -124.64 42.9 3.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 66.9 t -44.8 137.71 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -131.02 152.4 50.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.616 ' HB1' ' HG3' ' A' ' 28' ' ' PRO . . . -119.65 31.04 6.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.097 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.6 m -63.2 154.73 30.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.0 t -53.52 166.4 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.1 p -100.23 -32.81 10.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.7 t -81.88 -74.31 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.153 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.6 p -71.48 -14.14 62.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 39.9 mt 53.49 52.96 12.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -109.1 149.26 29.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -83.21 124.86 30.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.968 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.456 HD21 ' CB ' ' A' ' 38' ' ' CYS . 1.0 OUTLIER -129.78 160.62 32.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.7 mttm -84.02 -42.31 16.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -130.47 81.1 68.87 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.627 0.727 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.616 ' HG3' ' HB1' ' A' ' 16' ' ' ALA . 53.2 Cg_endo -69.78 145.65 57.69 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.656 2.237 . . . . 0.0 112.312 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.9 t -79.28 92.8 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 25.9 mt -82.33 105.94 12.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.441 HD11 ' SG ' ' A' ' 55' ' ' CYS . 30.5 pt -69.83 -174.78 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -81.38 40.71 0.58 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.431 ' HB3' HD11 ' A' ' 31' ' ' ILE . 5.9 t -133.89 -48.72 0.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 133.41 -28.91 3.23 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.461 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 23.7 m80 -62.78 166.42 5.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.793 0.33 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -103.02 142.31 34.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -149.53 134.49 17.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.825 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.456 ' CB ' HD21 ' A' ' 25' ' ' LEU . 17.1 p -97.81 156.89 16.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.7 ptpp? -52.58 -37.04 57.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.31 -30.21 70.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.093 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 42' ' ' ILE . 56.9 m -93.47 -72.47 0.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.416 HG22 ' O ' ' A' ' 38' ' ' CYS . 8.7 tp -36.17 -35.41 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 99.6 m -73.21 -64.03 1.06 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -49.74 -31.47 11.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 7.8 t-105 -88.2 22.91 2.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.633 ' HE1' HD21 ' A' ' 49' ' ' LEU . 1.8 t90 -114.94 -41.14 3.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.936 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 46' ' ' TRP . 20.9 tp10 -34.3 -43.66 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -83.77 83.93 7.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.633 HD21 ' HE1' ' A' ' 46' ' ' TRP . 18.7 mt -81.92 40.07 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -104.13 -49.33 3.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -53.06 -58.58 6.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 61.84 45.51 7.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -99.53 148.93 35.37 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.679 0.752 . . . . 0.0 110.876 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -20.81 34.42 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.702 2.268 . . . . 0.0 112.327 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.471 ' SG ' ' CG2' ' A' ' 57' ' ' VAL . 13.2 t -169.17 119.17 0.6 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.62 0.724 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -52.71 0.31 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.673 2.249 . . . . 0.0 112.297 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.471 ' CG2' ' SG ' ' A' ' 55' ' ' CYS . 4.2 m -49.56 -36.28 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.164 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 6.5 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.6 p -98.13 -54.6 3.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.839 0.352 . . . . 0.0 110.844 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.1 p -155.82 148.28 23.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.13 110.6 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.6 p -132.99 112.99 12.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.853 0.358 . . . . 0.0 110.857 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.2 m -139.06 165.27 27.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.88 91.94 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.527 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -135.37 108.26 7.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.844 0.354 . . . . 0.0 111.069 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.9 mt -97.54 117.27 31.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -102.93 104.71 14.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -112.38 124.61 52.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.9 mp -125.64 105.32 8.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -72.53 141.35 48.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.524 ' O ' HG12 ' A' ' 14' ' ' VAL . 9.5 t -102.19 32.58 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -119.68 168.6 10.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -103.56 178.87 4.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.091 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 86.7 p -173.07 147.4 1.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.5 t -48.4 167.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.4 m -107.14 -39.82 5.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.0 t -70.48 -65.29 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.12 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 32.0 p -82.19 -19.81 39.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 76.3 mt 58.8 50.16 9.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.422 ' HG2' ' N ' ' A' ' 24' ' ' TYR . 20.9 tt0 -101.01 149.12 24.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.422 ' N ' ' HG2' ' A' ' 23' ' ' GLU . 68.3 t80 -82.7 124.1 29.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.91 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.424 HD21 ' HB3' ' A' ' 38' ' ' CYS . 0.5 OUTLIER -132.0 144.46 50.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.952 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -70.27 -46.63 63.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -130.57 75.64 78.63 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.625 0.726 . . . . 0.0 110.857 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 163.39 38.44 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.663 2.242 . . . . 0.0 112.396 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.5 t -73.68 92.25 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.481 HG12 ' ND2' ' A' ' 36' ' ' ASN . 63.2 mt -93.58 80.09 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.2 pt -61.91 -177.47 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -81.99 39.1 0.55 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -123.33 -37.02 2.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 125.47 -53.78 0.77 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.533 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -57.71 174.77 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.823 0.344 . . . . 0.0 110.853 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.509 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 9.3 m120 -127.02 153.38 46.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.509 ' CD1' ' O ' ' A' ' 36' ' ' ASN . 50.0 m-85 -154.06 145.42 23.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.529 ' SG ' ' HB3' ' A' ' 40' ' ' ALA . 27.7 p -94.22 149.98 20.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm -46.16 -20.5 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.529 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . . . -80.65 -37.65 30.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.117 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 89.6 m -95.87 -61.04 1.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.442 ' CG1' ' HB2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -42.13 -32.15 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.459 HG23 ' N ' ' A' ' 44' ' ' ARG . 10.1 t -61.71 -44.08 97.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.172 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.459 ' N ' HG23 ' A' ' 43' ' ' THR . 47.0 ttt180 -48.86 -59.23 3.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.441 ' CG ' ' HD3' ' A' ' 56' ' ' PRO . 15.8 t-105 -62.03 -30.43 70.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.458 ' O ' ' C ' ' A' ' 47' ' ' GLU . 2.5 t90 -66.28 -47.42 73.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.946 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -33.64 119.13 0.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 50' ' ' GLU . 13.2 t70 63.87 52.49 2.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.728 HD23 ' H ' ' A' ' 49' ' ' LEU . 0.4 OUTLIER -43.19 95.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 -179.914 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 48' ' ' ASP . 8.7 pt-20 -125.51 44.07 2.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.3 mtp180 -164.67 148.01 8.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.828 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.89 -45.83 56.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -107.82 79.21 0.83 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.645 0.736 . . . . 0.0 110.863 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 92.78 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.69 2.26 . . . . 0.0 112.341 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 40.6 t -161.05 110.31 1.27 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.692 0.758 . . . . 0.0 110.868 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.441 ' HD3' ' CG ' ' A' ' 45' ' ' TRP . 53.6 Cg_endo -69.8 -2.71 10.66 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.67 2.247 . . . . 0.0 112.356 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 45.4 t -101.4 -40.41 7.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.125 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 10.4 m . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.994 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -156.52 117.55 3.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.874 0.369 . . . . 0.0 110.896 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.6 p -130.13 141.08 50.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.822 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.3 52.29 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.466 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -57.64 97.72 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.843 0.354 . . . . 0.0 110.862 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 m -96.83 93.6 6.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.0 74.78 0.18 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.457 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -115.71 -60.55 1.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.798 0.332 . . . . 0.0 111.074 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.4 mp -99.42 96.78 7.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -133.21 176.71 8.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -123.18 102.61 8.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.919 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.653 HD23 ' H ' ' A' ' 12' ' ' LEU . 1.7 pt? -106.89 40.26 1.69 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.948 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -76.75 169.8 17.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.941 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.5 t -107.0 128.59 61.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.13 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -145.87 114.73 6.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.667 ' HB1' ' HG3' ' A' ' 28' ' ' PRO . . . -52.39 151.72 3.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.6 p -169.68 144.17 2.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.846 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.51 ' O ' HD13 ' A' ' 22' ' ' LEU . 13.2 t -42.74 165.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.84 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.416 ' HB2' ' CE1' ' A' ' 37' ' ' PHE . 2.0 m -102.54 -6.33 22.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.832 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 92.0 t -112.27 -58.06 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.451 ' O ' ' C ' ' A' ' 22' ' ' LEU . 28.4 p -99.6 12.82 35.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.51 ' H ' HD22 ' A' ' 22' ' ' LEU . 3.3 mm? 34.03 41.08 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.925 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -75.7 158.26 32.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -93.61 118.96 32.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.43 HD21 ' HB3' ' A' ' 38' ' ' CYS . 0.2 OUTLIER -135.03 136.9 42.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.947 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.423 ' HG2' ' N ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -68.26 -34.86 76.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 179.779 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.423 ' N ' ' HG2' ' A' ' 26' ' ' LYS . 5.5 pt-20 -131.62 81.34 64.31 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.648 0.737 . . . . 0.0 110.909 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.667 ' HG3' ' HB1' ' A' ' 16' ' ' ALA . 53.5 Cg_endo -69.71 142.21 47.52 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.717 2.278 . . . . 0.0 112.356 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.5 t -67.93 91.34 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.122 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.427 ' O ' HG22 ' A' ' 30' ' ' ILE . 40.5 mt -91.15 81.35 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.13 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.505 HD11 ' SG ' ' A' ' 33' ' ' CYS . 33.0 pt -56.69 -175.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.48 36.35 0.53 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.505 ' SG ' HD11 ' A' ' 31' ' ' ILE . 1.2 p -119.33 -43.39 2.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.478 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . 113.06 45.92 0.73 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.508 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -146.92 176.97 9.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.793 0.33 . . . . 0.0 110.843 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -118.19 141.62 48.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.416 ' CE1' ' HB2' ' A' ' 19' ' ' SER . 77.7 m-85 -155.14 136.67 14.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.616 ' O ' HG22 ' A' ' 42' ' ' ILE . 14.8 p -93.56 151.68 19.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.479 ' HA ' ' CG2' ' A' ' 42' ' ' ILE . 2.7 mptp? -43.98 -45.96 8.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.92 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.83 -36.87 67.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 60.9 m -89.02 -69.94 0.68 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.616 HG22 ' O ' ' A' ' 38' ' ' CYS . 8.0 tp -36.86 -35.69 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.092 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 100.0 m -72.65 -49.35 32.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.14 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.51 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -51.07 -23.44 3.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 4.7 t-105 -108.83 -19.9 13.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.53 ' O ' ' CG ' ' A' ' 46' ' ' TRP . 19.9 t90 -105.59 40.1 1.62 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -63.43 -64.11 1.0 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.402 ' C ' ' N ' ' A' ' 50' ' ' GLU . 2.3 m-20 -109.52 137.73 46.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.846 HD22 ' N ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -45.94 -20.43 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.928 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.846 ' N ' HD22 ' A' ' 49' ' ' LEU . 7.0 tt0 -128.44 69.82 1.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -110.67 -53.19 2.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 53' ' ' PHE . 5.1 m-20 -171.49 179.62 2.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.824 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.444 ' C ' ' O ' ' A' ' 52' ' ' ASP . 18.8 m-85 -35.01 152.51 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.598 0.714 . . . . 0.0 110.89 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -6.91 19.73 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.717 2.278 . . . . 0.0 112.372 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 53.9 t -160.62 123.11 1.81 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.634 0.73 . . . . 0.0 110.859 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -42.34 3.49 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.654 2.236 . . . . 0.0 112.378 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.411 HG21 ' HB3' ' A' ' 19' ' ' SER . 91.6 t -59.05 -41.84 84.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 13.1 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.7 m -104.41 114.52 28.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.872 0.368 . . . . 0.0 110.811 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -69.38 -54.89 12.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.15 -146.39 36.23 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.48 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.7 t -165.23 129.64 2.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.88 0.372 . . . . 0.0 110.862 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 t -108.05 42.1 1.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.69 41.0 3.98 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.471 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.95 83.74 2.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.785 0.326 . . . . 0.0 111.081 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 tp -141.5 125.29 16.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -59.9 131.98 52.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -115.11 123.26 48.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 66.2 tp -110.86 82.1 1.54 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -150.41 139.5 21.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.5 p -110.66 144.04 19.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -148.05 137.74 22.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.778 ' HB1' ' HG3' ' A' ' 28' ' ' PRO . . . -71.48 150.51 44.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.073 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 99.7 p -174.27 154.42 2.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.6 t -62.89 165.9 6.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.9 p -102.38 -34.85 9.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.7 t -77.59 -73.03 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.123 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.5 p -72.58 -16.86 61.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 64.8 mt 56.79 53.06 8.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -108.07 156.25 19.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -89.68 121.86 32.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.564 HD21 ' CB ' ' A' ' 38' ' ' CYS . 1.3 mp -127.09 138.51 53.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.5 ptmt -63.05 -42.13 99.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -134.76 82.21 44.86 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.683 0.754 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.778 ' HG3' ' HB1' ' A' ' 16' ' ' ALA . 53.4 Cg_endo -69.83 156.66 62.61 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.69 2.26 . . . . 0.0 112.319 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 66.0 t -80.68 121.89 34.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.622 HD12 ' O ' ' A' ' 28' ' ' PRO . 5.3 mp -113.82 100.31 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.439 HD11 ' SG ' ' A' ' 33' ' ' CYS . 39.3 pt -76.65 179.13 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.11 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -46.34 -46.33 18.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.439 ' SG ' HD11 ' A' ' 31' ' ' ILE . 1.0 OUTLIER -60.98 -35.99 78.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.515 ' O ' HG23 ' A' ' 30' ' ' ILE . . . 113.04 -48.25 0.96 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.455 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.479 ' C ' ' O ' ' A' ' 34' ' ' GLY . 66.4 m170 -32.1 135.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.823 0.344 . . . . 0.0 110.83 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.5 m120 -80.2 151.3 29.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -155.85 142.57 18.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.67 ' O ' HG22 ' A' ' 42' ' ' ILE . 19.3 p -99.3 152.6 19.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.938 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.448 ' HA ' ' CG2' ' A' ' 42' ' ' ILE . 38.5 mmtt -46.4 -35.84 5.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.455 ' C ' HG22 ' A' ' 43' ' ' THR . . . -64.38 -37.14 86.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 43' ' ' THR . 86.4 m -95.47 -64.38 1.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.67 HG22 ' O ' ' A' ' 38' ' ' CYS . 5.4 tp -38.64 -26.29 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.138 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.492 ' N ' ' O ' ' A' ' 41' ' ' CYS . 4.7 t -66.04 -46.14 78.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.203 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.455 ' N ' HG23 ' A' ' 43' ' ' THR . 38.0 ttt180 -49.26 -57.36 6.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.561 ' CD1' ' HD3' ' A' ' 56' ' ' PRO . 9.7 t-105 -73.74 -49.06 27.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.584 ' HE1' HD23 ' A' ' 49' ' ' LEU . 5.0 t90 -78.62 45.42 0.58 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.946 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -72.81 -34.27 66.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -158.55 105.5 1.85 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 1.021 HD12 ' N ' ' A' ' 50' ' ' GLU . 0.2 OUTLIER -103.68 123.37 46.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 1.021 ' N ' HD12 ' A' ' 49' ' ' LEU . 7.3 mm-40 -126.53 -59.33 1.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 80.7 mtm-85 -132.36 -45.76 0.91 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.407 ' C ' ' HD3' ' A' ' 54' ' ' PRO . 10.5 m-20 -92.29 113.41 25.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -115.9 62.71 2.13 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.642 0.734 . . . . 0.0 110.911 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.407 ' HD3' ' C ' ' A' ' 52' ' ' ASP . 53.4 Cg_endo -69.82 173.84 10.44 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.628 2.219 . . . . 0.0 112.318 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 30.6 t -122.54 137.73 28.24 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.644 0.735 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.561 ' HD3' ' CD1' ' A' ' 45' ' ' TRP . 53.2 Cg_endo -69.8 -46.41 1.22 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.666 2.244 . . . . 0.0 112.335 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.427 ' HB ' ' ND1' ' A' ' 35' ' ' HIS . 59.3 t -60.95 -45.17 98.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.207 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 75.9 m . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.858 179.993 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -87.59 -51.81 5.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.895 0.378 . . . . 0.0 110.846 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.1 p -62.82 142.04 58.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -42.55 -91.65 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.469 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.3 p -132.78 96.8 3.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.852 0.358 . . . . 0.0 110.854 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.4 t -104.66 93.35 4.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.85 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.1 134.28 3.14 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.502 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.58 -66.14 0.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.848 0.356 . . . . 0.0 111.054 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.4 mt -139.79 115.11 9.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -75.95 108.67 8.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 49.8 p30 -166.28 166.55 16.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 pp -155.39 -179.78 8.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -139.83 155.8 47.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.457 HG12 ' N ' ' A' ' 15' ' ' GLU . 95.9 t -138.32 155.07 28.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.165 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.457 ' N ' HG12 ' A' ' 14' ' ' VAL . 36.9 tt0 -125.82 159.55 32.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.416 ' N ' ' HG2' ' A' ' 15' ' ' GLU . . . -46.12 136.86 6.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.7 m -157.51 148.46 21.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.2 t -47.65 166.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.0 m -104.51 -34.98 8.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 64.9 t -77.0 -70.79 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.124 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.3 p -76.17 -16.03 59.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.7 mt 55.72 49.04 17.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -98.01 159.8 14.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -95.01 121.23 36.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.962 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.46 160.86 31.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.466 ' N ' ' HD2' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -84.31 -44.11 14.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.839 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -131.23 78.42 72.52 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.643 0.735 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -177.82 2.06 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.678 2.252 . . . . 0.0 112.375 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 43.1 t -108.7 119.62 58.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.443 ' N ' HD12 ' A' ' 30' ' ' ILE . 4.9 mp -109.22 138.37 36.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 42.3 pt -113.33 175.8 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -43.2 -45.78 5.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 9.9 t -60.35 -50.03 75.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 128.53 -40.92 1.64 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.467 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 28.8 m170 -39.69 142.83 0.28 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.839 0.352 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -89.88 150.54 22.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -153.26 137.48 16.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.545 ' SG ' ' HB3' ' A' ' 40' ' ' ALA . 18.1 p -91.58 150.74 21.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.415 ' HA ' HG22 ' A' ' 42' ' ' ILE . 9.8 tppt? -52.09 -20.35 2.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.545 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . . . -78.48 -31.21 47.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.08 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 59.7 m -95.11 -58.24 2.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.447 HG22 ' O ' ' A' ' 38' ' ' CYS . 10.6 tp -48.12 -25.36 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.477 HG22 ' C ' ' A' ' 40' ' ' ALA . 6.4 t -64.89 -39.25 93.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.164 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 30.0 ttt85 -57.82 -37.13 73.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 8.2 t-105 -100.01 -10.35 21.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.421 ' CG ' ' O ' ' A' ' 46' ' ' TRP . 22.8 t90 -107.85 42.05 1.42 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.919 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -86.38 -40.08 15.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.854 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 49' ' ' LEU . 1.9 m-20 -90.09 -176.24 4.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.859 HD13 ' H ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -48.02 177.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.957 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -117.18 54.35 0.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.425 ' HB3' ' NH1' ' A' ' 51' ' ' ARG . 5.2 mmm180 -54.49 -38.43 66.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.437 ' C ' ' HD3' ' A' ' 54' ' ' PRO . 1.4 p-10 -157.95 -178.87 7.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -112.54 65.57 0.83 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.689 0.756 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.437 ' HD3' ' C ' ' A' ' 52' ' ' ASP . 53.9 Cg_endo -69.76 98.29 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.662 2.242 . . . . 0.0 112.334 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 11.7 t -56.69 112.11 4.12 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.64 0.733 . . . . 0.0 110.829 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -50.81 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.672 2.248 . . . . 0.0 112.403 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.421 HG13 ' N ' ' A' ' 58' ' ' CYS . 7.4 p -51.88 -42.12 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.141 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.421 ' N ' HG13 ' A' ' 57' ' ' VAL . 1.8 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.9 p -82.7 48.7 1.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.913 0.387 . . . . 0.0 110.813 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.2 t 64.26 43.59 4.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 43.01 -153.07 0.23 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.486 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.5 p -81.19 176.71 9.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.878 0.371 . . . . 0.0 110.888 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.1 t -145.68 155.92 43.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.53 149.2 28.9 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.517 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -125.95 -57.87 1.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.759 0.314 . . . . 0.0 111.098 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 73.0 mt -78.83 -60.24 2.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -58.51 171.37 0.62 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -95.29 -59.64 1.84 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.919 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.0 mt -144.52 133.63 22.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.923 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 pm0 -96.09 138.9 33.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.3 p -91.83 148.68 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.147 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -147.67 126.01 12.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.25 152.43 17.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.085 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.9 p -170.95 155.55 4.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.407 ' O ' HD13 ' A' ' 22' ' ' LEU . 11.1 t -52.29 167.77 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 80.8 p -106.03 -12.66 15.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.1 t -104.25 -48.04 9.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.12 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 22' ' ' LEU . 21.8 p -109.54 12.33 24.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.509 HD22 ' H ' ' A' ' 22' ' ' LEU . 3.3 mm? 33.98 40.38 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -74.17 150.99 40.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -89.65 102.91 15.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.94 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -118.19 155.24 30.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.2 mttm -81.0 -43.88 18.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -133.82 80.22 55.98 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.667 0.746 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 147.6 63.54 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.675 2.25 . . . . 0.0 112.379 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.4 t -70.2 91.14 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.117 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.401 ' O ' ' O ' ' A' ' 31' ' ' ILE . 37.9 mt -88.02 83.7 2.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.152 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.401 ' O ' ' O ' ' A' ' 30' ' ' ILE . 43.4 pt -50.69 -176.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.119 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.67 41.57 0.49 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -128.15 -33.0 2.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.849 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.74 -52.57 0.74 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.483 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 34.5 m80 -53.23 179.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.795 0.331 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.424 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 2.4 m-80 -123.57 158.65 30.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.424 ' CD1' ' C ' ' A' ' 36' ' ' ASN . 83.7 m-85 -155.76 145.84 21.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.832 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.463 ' SG ' ' HB3' ' A' ' 40' ' ' ALA . 15.8 p -99.95 150.8 22.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 42.8 mmtt -45.84 -35.93 4.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.463 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . . . -65.18 -32.82 74.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 42' ' ' ILE . 53.6 m -90.42 -70.03 0.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.469 HG23 ' N ' ' A' ' 43' ' ' THR . 6.7 tp -36.37 -42.26 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.124 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.5 HG23 ' N ' ' A' ' 44' ' ' ARG . 9.7 t -51.33 -45.64 62.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.09 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.5 ' N ' HG23 ' A' ' 43' ' ' THR . 29.2 ttp180 -48.79 -56.42 8.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 5.9 t-105 -67.87 -53.14 28.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.486 ' O ' ' C ' ' A' ' 47' ' ' GLU . 2.4 t90 -41.56 -47.77 3.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.936 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 46' ' ' TRP . 1.2 tm-20 -29.38 -46.92 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.87 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -81.5 113.02 19.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.3 mp -75.71 48.61 0.47 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -83.43 -44.93 14.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.852 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.7 mmm180 50.12 24.97 1.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -97.64 -45.47 6.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -75.97 130.33 78.61 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.681 0.753 . . . . 0.0 110.875 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -41.49 4.24 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.714 2.276 . . . . 0.0 112.326 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 43.3 t -175.05 136.85 0.55 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.603 0.716 . . . . 0.0 110.845 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -31.11 20.83 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.29 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 63.6 t -77.98 -50.09 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.123 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 72.2 m . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.98 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.0 m -128.29 154.28 46.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.873 0.368 . . . . 0.0 110.842 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 t -77.98 -45.62 23.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.849 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.93 178.01 41.21 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.496 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.0 t -158.86 128.77 5.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.904 0.383 . . . . 0.0 110.87 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.3 m -126.87 -45.39 1.59 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.66 -66.27 0.49 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.451 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -115.22 114.92 25.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.812 0.339 . . . . 0.0 111.149 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.799 HD23 ' H ' ' A' ' 9' ' ' LEU . 0.6 OUTLIER -69.42 110.14 4.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -84.79 114.7 22.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -127.45 157.13 40.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.0 mp -121.47 108.07 13.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -101.16 41.37 1.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.573 ' O ' HG12 ' A' ' 14' ' ' VAL . 16.5 t 64.53 36.49 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.102 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -74.46 146.16 43.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.445 ' HB1' ' CG ' ' A' ' 28' ' ' PRO . . . -88.28 128.93 35.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.112 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.7 m -148.1 139.66 23.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.7 t -45.49 167.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 94.3 p -102.45 -41.41 6.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.4 t -70.25 -69.87 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.137 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.1 p -74.31 -19.09 60.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 76.7 mt 59.33 50.72 7.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -113.5 148.67 35.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.84 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -86.51 121.62 29.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.577 HD13 ' HB3' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -125.23 171.14 10.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.918 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.63 101.97 13.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.438 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 16.3 tp10 75.02 54.93 0.24 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.572 0.701 . . . . 0.0 110.919 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.577 ' HB3' HD13 ' A' ' 25' ' ' LEU . 53.7 Cg_endo -69.75 159.91 51.67 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.71 2.274 . . . . 0.0 112.349 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.1 t -61.62 117.71 3.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.191 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 44.3 mt -119.3 80.83 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 31.1 pt -63.39 161.84 2.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.127 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -42.34 -47.98 4.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 31.0 t -41.71 -44.69 3.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 118.48 -33.18 4.93 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.415 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.445 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 33.5 m170 -58.61 151.39 20.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.81 0.338 . . . . 0.0 110.863 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -98.45 149.41 22.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.445 ' CZ ' ' HB2' ' A' ' 35' ' ' HIS . 19.0 m-85 -153.15 138.44 17.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.599 ' O ' HG22 ' A' ' 42' ' ' ILE . 14.3 p -101.35 148.46 25.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.921 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.472 ' HA ' ' CG2' ' A' ' 42' ' ' ILE . 36.8 mmtm -44.99 -40.13 6.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.445 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . . . -59.47 -35.4 74.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 42' ' ' ILE . 67.1 m -93.26 -69.15 0.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.599 HG22 ' O ' ' A' ' 38' ' ' CYS . 4.4 tp -36.02 -39.78 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.174 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.471 HG23 ' N ' ' A' ' 44' ' ' ARG . 3.5 t -44.8 -49.08 10.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.08 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.471 ' N ' HG23 ' A' ' 43' ' ' THR . 0.1 OUTLIER -54.02 -47.79 71.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.529 ' CD1' ' HD3' ' A' ' 56' ' ' PRO . 9.1 t-105 -85.49 25.12 1.08 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.936 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.455 ' O ' ' C ' ' A' ' 47' ' ' GLU . 2.2 t90 -126.06 -46.57 1.66 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.959 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 46' ' ' TRP . 11.2 tt0 -33.5 -45.69 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.6 p-10 -86.47 86.11 7.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.1 mt -70.41 92.08 0.79 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -122.15 -62.83 1.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 86.6 mtt-85 -86.85 177.24 7.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.48 -55.53 3.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.831 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.563 ' CD2' ' O ' ' A' ' 53' ' ' PHE . 24.6 p90 -123.71 66.71 38.02 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.667 0.746 . . . . 0.0 110.869 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.508 ' HB2' ' CD1' ' A' ' 45' ' ' TRP . 54.1 Cg_endo -69.73 148.86 66.19 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.64 2.227 . . . . 0.0 112.37 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 11.6 t -139.21 109.49 7.56 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.625 0.726 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.529 ' HD3' ' CD1' ' A' ' 45' ' ' TRP . 53.6 Cg_endo -69.78 -51.06 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.686 2.257 . . . . 0.0 112.348 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.5 p -50.45 -39.11 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.97 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.2 m -64.99 126.43 28.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.914 0.388 . . . . 0.0 110.811 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.3 p -106.65 139.08 41.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.89 -117.11 0.78 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.478 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.6 t -155.08 147.85 24.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.899 0.38 . . . . 0.0 110.894 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.5 m -152.76 155.07 36.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.91 137.79 8.69 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.48 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -131.92 83.88 2.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 0.0 111.135 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.1 tp -109.82 97.33 6.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -128.06 100.6 5.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 54.2 m-20 -60.7 138.26 58.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -92.1 33.86 1.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -100.53 136.81 39.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.941 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 85.2 t -113.37 136.48 49.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -112.96 147.04 37.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.524 ' HB3' ' HG3' ' A' ' 28' ' ' PRO . . . -67.45 172.4 5.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.118 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 82.7 p -167.02 158.31 12.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.837 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.9 t -61.74 168.79 2.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.3 m -105.28 -40.92 5.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.9 t -70.46 -67.84 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.139 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.4 p -79.74 -25.67 41.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.3 mt 66.21 54.65 0.94 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.478 ' O ' HD12 ' A' ' 25' ' ' LEU . 15.9 tp10 -104.6 152.87 21.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.448 ' N ' ' HG3' ' A' ' 23' ' ' GLU . 20.3 m-85 -85.1 121.11 27.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.93 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.478 HD12 ' O ' ' A' ' 23' ' ' GLU . 1.4 mp -129.71 142.8 50.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.91 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -68.83 -41.44 78.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -134.78 79.36 52.63 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.665 0.745 . . . . 0.0 110.862 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.524 ' HG3' ' HB3' ' A' ' 16' ' ' ALA . 53.9 Cg_endo -69.78 151.46 68.95 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.711 2.274 . . . . 0.0 112.343 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.576 HG11 HG13 ' A' ' 42' ' ' ILE . 91.4 t -66.35 85.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.087 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 24.5 mt -88.68 82.51 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.459 HD11 ' SG ' ' A' ' 33' ' ' CYS . 44.9 pt -66.33 -176.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -81.38 39.82 0.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.459 ' SG ' HD11 ' A' ' 31' ' ' ILE . 0.8 OUTLIER -125.18 -35.82 2.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.911 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.3 -51.63 0.78 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.5 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -59.53 167.26 2.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.594 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 12.8 m120 -118.05 152.46 35.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.594 ' CD1' ' O ' ' A' ' 36' ' ' ASN . 38.2 m-85 -153.49 139.81 18.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 41' ' ' CYS . 31.3 p -92.17 152.58 19.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.3 mmmm -42.5 -28.92 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.968 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.402 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . . . -76.56 -36.54 57.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.073 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.463 ' N ' ' O ' ' A' ' 38' ' ' CYS . 84.8 m -93.67 -65.82 0.96 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.576 HG13 HG11 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -36.98 -45.52 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.148 179.913 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.536 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 77.3 m -59.92 -50.25 74.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.125 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -40.49 -39.48 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.507 ' CD1' ' HD3' ' A' ' 56' ' ' PRO . 6.9 t-105 -88.35 -47.4 8.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.521 ' CG ' ' O ' ' A' ' 46' ' ' TRP . 24.4 t90 -82.89 38.0 0.56 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.65 -51.87 5.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.93 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -80.14 139.57 36.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -49.97 114.26 1.05 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.414 ' CB ' ' HG3' ' A' ' 54' ' ' PRO . 5.3 mm-40 -127.17 -57.51 1.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 26.8 mtt-85 60.27 25.06 14.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 53' ' ' PHE . 7.0 t0 -127.74 41.1 3.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.448 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 86.2 m-85 35.51 53.8 1.98 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.677 0.751 . . . . 0.0 110.911 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.448 ' CD ' ' N ' ' A' ' 53' ' ' PHE . 53.7 Cg_endo -69.82 126.51 13.36 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.693 2.262 . . . . 0.0 112.331 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 45.6 t -125.65 130.55 24.03 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.593 0.711 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.507 ' HD3' ' CD1' ' A' ' 45' ' ' TRP . 54.1 Cg_endo -69.7 -37.91 8.65 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.671 2.248 . . . . 0.0 112.358 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.454 ' O ' ' C ' ' A' ' 58' ' ' CYS . 45.5 t -71.78 -69.99 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.454 ' C ' ' O ' ' A' ' 57' ' ' VAL . 34.0 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.6 m -69.51 86.81 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.873 0.368 . . . . 0.0 110.851 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 t -117.41 138.64 51.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.4 148.73 18.75 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.462 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.3 p -108.91 -54.61 2.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.854 0.359 . . . . 0.0 110.851 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.5 m -66.61 87.83 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.841 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.74 -162.19 21.48 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.544 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -106.06 111.69 24.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.84 0.353 . . . . 0.0 111.114 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.5 -57.29 12.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -115.42 132.32 56.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -57.61 -56.34 23.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.2 mt -129.21 129.25 44.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -127.55 100.2 5.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.949 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.0 t -133.36 135.01 56.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -138.93 173.49 11.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.709 ' HB1' ' HG3' ' A' ' 28' ' ' PRO . . . -73.3 159.67 33.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.092 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 91.5 p -174.7 152.43 1.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.4 t -54.64 167.42 0.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 t -102.59 -37.45 7.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 80.4 t -75.48 -71.76 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.12 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.5 p -75.53 -26.93 58.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.4 mt 67.47 53.09 0.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.415 ' O ' HD12 ' A' ' 25' ' ' LEU . 41.9 tt0 -98.23 158.09 15.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -88.73 117.21 27.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.415 HD12 ' O ' ' A' ' 23' ' ' GLU . 1.1 mp -129.27 140.83 51.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.96 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.8 tptm -66.65 -41.43 88.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.414 ' HA ' ' HD2' ' A' ' 28' ' ' PRO . 5.0 tp10 -134.21 89.2 28.73 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.65 0.738 . . . . 0.0 110.85 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.709 ' HG3' ' HB1' ' A' ' 16' ' ' ALA . 54.2 Cg_endo -69.7 147.4 63.15 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.682 2.255 . . . . 0.0 112.367 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.2 t -75.98 87.81 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.138 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.1 mt -74.76 105.66 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 40.0 pt -78.87 175.16 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.154 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -46.96 -47.13 21.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -56.42 -49.5 74.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 131.35 -40.93 1.57 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.479 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.402 ' ND1' ' CG1' ' A' ' 57' ' ' VAL . 22.9 m170 -45.23 163.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.845 0.355 . . . . 0.0 110.835 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -102.31 152.42 21.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -155.78 130.86 9.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.686 ' O ' HG22 ' A' ' 42' ' ' ILE . 30.3 p -87.39 146.4 25.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.476 ' C ' ' O ' ' A' ' 38' ' ' CYS . 1.4 mptp? -32.27 -42.93 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.83 -59.08 6.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 42' ' ' ILE . 86.7 m -65.76 -67.35 0.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.686 HG22 ' O ' ' A' ' 38' ' ' CYS . 4.2 tp -36.1 -34.2 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.129 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.417 ' N ' ' O ' ' A' ' 41' ' ' CYS . 8.4 m -69.54 -50.92 40.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.149 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 41' ' ' CYS . 7.7 tpt180 -42.57 -40.78 2.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 10.1 t-105 -88.45 -36.09 16.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.93 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.516 ' CG ' ' O ' ' A' ' 46' ' ' TRP . 26.0 t90 -94.87 44.95 1.1 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.419 ' C ' ' OD1' ' A' ' 48' ' ' ASP . 9.3 pt-20 -64.24 -30.68 71.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.937 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.419 ' OD1' ' C ' ' A' ' 47' ' ' GLU . 0.7 OUTLIER -139.72 160.5 39.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.1 mp -84.36 39.0 0.7 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.963 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -128.14 40.71 3.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -40.76 143.1 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -132.95 -45.12 0.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.518 ' CG ' ' HD2' ' A' ' 54' ' ' PRO . 3.3 t80 -104.05 140.91 21.52 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.671 0.748 . . . . 0.0 110.914 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.518 ' HD2' ' CG ' ' A' ' 53' ' ' PHE . 53.5 Cg_endo -69.78 -178.88 2.56 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.666 2.244 . . . . 0.0 112.348 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.702 ' SG ' HG12 ' A' ' 57' ' ' VAL . 11.1 t -33.48 122.05 0.46 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.603 0.716 . . . . 0.0 110.891 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -51.55 0.38 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.682 2.254 . . . . 0.0 112.374 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.702 HG12 ' SG ' ' A' ' 55' ' ' CYS . 9.8 p -51.38 -28.72 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 5.8 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.968 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -109.61 170.65 7.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.853 0.358 . . . . 0.0 110.846 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -113.1 172.8 6.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.845 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.27 -122.35 1.83 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.522 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.4 t -159.73 160.3 33.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.9 0.381 . . . . 0.0 110.848 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.2 t -115.56 114.88 25.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.861 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.69 69.0 0.24 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.481 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -148.92 113.0 5.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.781 0.324 . . . . 0.0 111.139 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 10' ' ' GLU . 5.3 mp -82.52 41.83 0.73 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 9' ' ' LEU . 4.8 pt-20 -36.69 133.57 0.55 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -129.87 86.61 2.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.438 ' N ' HD12 ' A' ' 12' ' ' LEU . 5.6 mp -97.93 87.43 3.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.965 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -126.43 94.02 3.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.3 t -111.46 33.47 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.162 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -116.8 152.75 33.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -114.29 120.92 42.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.089 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.534 ' HB3' ' CD1' ' A' ' 24' ' ' TYR . 37.1 p -121.66 148.66 44.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.3 t -46.47 136.02 7.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.7 t -88.37 24.2 1.98 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.6 t -132.28 -63.42 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.3 p -86.08 -9.76 56.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 52.2 mt 62.3 53.89 2.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -123.58 140.99 52.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.534 ' CD1' ' HB3' ' A' ' 17' ' ' SER . 78.2 m-85 -85.95 121.96 29.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.55 HD13 ' HB3' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -129.0 162.49 27.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.919 179.89 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.33 113.64 25.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.435 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 8.9 mt-10 64.58 55.02 1.39 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.653 0.74 . . . . 0.0 110.925 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.55 ' HB3' HD13 ' A' ' 25' ' ' LEU . 53.8 Cg_endo -69.75 156.29 63.76 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.639 2.226 . . . . 0.0 112.36 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 50.3 t -63.98 134.39 28.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.13 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.783 HD11 HD22 ' A' ' 36' ' ' ASN . 40.8 mm -135.52 108.34 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.412 ' O ' ' N ' ' A' ' 34' ' ' GLY . 44.6 pt -82.52 163.72 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -37.51 -42.93 0.56 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 28.3 t -53.91 -46.55 71.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 31' ' ' ILE . . . 119.99 -38.28 2.82 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.521 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -47.58 130.13 13.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.798 0.332 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.783 HD22 HD11 ' A' ' 30' ' ' ILE . 1.1 m120 -73.22 154.52 40.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.458 ' CD1' ' O ' ' A' ' 36' ' ' ASN . 66.6 m-85 -155.72 135.47 12.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.799 ' O ' HG22 ' A' ' 42' ' ' ILE . 14.6 p -99.28 155.68 17.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.878 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.476 ' HA ' ' CG2' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -47.1 -39.26 12.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 179.918 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.66 -30.32 71.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.082 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 43' ' ' THR . 56.8 m -95.32 -66.31 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.799 HG22 ' O ' ' A' ' 38' ' ' CYS . 6.0 tp -36.96 -31.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 41' ' ' CYS . 98.7 m -74.93 -49.98 18.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.135 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.3 tpm_? -44.62 -36.57 3.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 8.8 t-105 -92.4 -41.52 10.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.545 ' CG ' ' O ' ' A' ' 46' ' ' TRP . 23.9 t90 -85.57 38.16 0.73 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -62.19 -56.35 19.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.842 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.19 175.02 10.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.3 mp -47.44 175.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -87.68 45.82 1.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -77.16 -44.01 31.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.434 ' CG ' ' HD3' ' A' ' 54' ' ' PRO . 17.6 t70 -155.96 113.77 3.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -118.9 72.96 11.82 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.663 0.744 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.434 ' HD3' ' CG ' ' A' ' 52' ' ' ASP . 53.9 Cg_endo -69.78 110.01 2.45 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.636 2.224 . . . . 0.0 112.357 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 44.3 t -38.3 114.76 0.81 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.614 0.721 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -50.9 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.676 2.251 . . . . 0.0 112.338 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 57.9 t -49.7 -40.72 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.119 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 2.5 m . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.977 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_