data_6ir0_residue ############################ # Computer software used # ############################ 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 6ir0 _Structure_validation_residue.Date_analyzed 2019-11-08 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 ' 3' ' ' THR . . . . . 0.499 ' O ' ' N ' ' A' ' 5' ' ' GLU . 1.1 p . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.717 0.294 . . . . 0.0 111.158 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.563 ' HB3' ' CE1' ' A' ' 43' ' ' HIS . 36.7 tt0 -38.21 92.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 3' ' ' THR . 15.0 tt0 -52.63 160.61 0.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 8' ' ' VAL . 18.0 mt -124.69 112.71 17.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.949 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 6' ' ' LEU . 2.9 tptt -37.33 -28.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.955 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.495 ' N ' ' O ' ' A' ' 6' ' ' LEU . 2.7 m -143.96 146.93 36.15 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.641 0.734 . . . . 0.0 111.13 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.81 130.49 19.37 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.698 2.265 . . . . 0.0 112.325 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.465 ' HG2' ' CD1' ' A' ' 21' ' ' LEU . 53.6 Cg_endo -69.75 -163.84 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.701 2.268 . . . . 0.0 112.307 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -114.15 22.96 13.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -83.91 -21.5 31.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 64.29 136.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.468 ' N ' ' HG ' ' A' ' 21' ' ' LEU . 13.5 t -49.88 166.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.46 ' CG1' ' HG2' ' A' ' 72' ' ' PRO . 0.0 OUTLIER -123.9 -14.52 5.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.13 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.532 HG21 ' CE2' ' A' ' 27' ' ' TYR . 0.7 OUTLIER -81.29 -66.23 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.046 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.0 p -85.85 -4.81 59.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.964 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.4 mtp 58.65 45.26 16.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -125.17 161.43 26.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.6 mttp -52.96 132.12 36.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.468 ' HG ' ' N ' ' A' ' 14' ' ' CYS . 6.4 mt -65.18 -5.49 6.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -87.8 -44.36 11.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -55.11 -93.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.143 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 178.91 -176.78 0.25 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 t -66.42 132.1 47.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -79.12 -26.82 57.2 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.533 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.532 ' CE2' HG21 ' A' ' 16' ' ' ILE . 13.1 m-30 -84.53 -3.35 58.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.848 0.356 . . . . 0.0 110.916 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.21 -25.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.91 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 27' ' ' TYR . 4.0 m-20 -63.07 -59.02 5.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.819 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -127.96 91.17 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.199 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.405 ' N ' HD21 ' A' ' 36' ' ' LEU . 2.2 mt . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.836 0.35 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 39.99 -99.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.544 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.0 p 177.31 48.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.926 0.393 . . . . 0.0 110.853 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.4 tp -177.69 49.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.922 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -133.45 112.15 11.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.082 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 13.0 t -96.03 119.19 43.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.101 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -140.68 136.84 7.86 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.563 ' CE1' ' HB3' ' A' ' 4' ' ' GLU . 30.4 p80 -92.64 108.84 20.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.78 0.324 . . . . 0.0 110.823 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 48' ' ' SER . 0.1 OUTLIER -37.95 125.57 1.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.46 ' N ' HD21 ' A' ' 44' ' ' LEU . 3.7 p -58.25 -30.07 66.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.464 ' HB3' ' CG2' ' A' ' 76' ' ' THR . 0.0 OUTLIER -52.39 -68.1 0.2 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.869 179.859 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.501 ' O ' ' CB ' ' A' ' 48' ' ' SER . 10.2 p -96.9 -38.18 9.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 0.3 OUTLIER 82.75 71.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.808 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.535 ' O ' ' CB ' ' A' ' 50' ' ' ALA . 30.7 m170 -117.86 -99.98 0.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.86 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.606 ' O ' ' CD1' ' A' ' 51' ' ' PHE . . . 158.99 133.0 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.19 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.606 ' CD1' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -176.58 148.62 0.73 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.91 -179.86 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.494 ' O ' ' CD1' ' A' ' 56' ' ' LEU . 33.2 m170 -48.55 99.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.83 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 52' ' ' HIS . 14.4 mt -35.85 -61.42 0.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.526 ' C ' ' CD1' ' A' ' 54' ' ' LEU . 0.3 OUTLIER -42.22 -58.4 2.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.458 ' HB3' ' CB ' ' A' ' 16' ' ' ILE . 66.6 m -43.25 -60.8 1.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.53 HD21 ' CD2' ' A' ' 51' ' ' PHE . 5.4 mp -45.46 -58.36 3.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.569 HD11 ' CD1' ' A' ' 60' ' ' TYR . 7.6 tp -41.02 -24.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 56' ' ' LEU . . . -70.38 -66.74 0.56 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.067 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.461 ' CE ' ' HG2' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -76.76 -7.87 56.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.634 ' CD2' ' HA ' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -62.86 -19.51 64.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.885 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.01 -9.19 36.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.844 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.413 ' O ' ' NZ ' ' A' ' 65' ' ' LYS . 1.1 t-20 -91.53 -55.58 3.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.959 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 64' ' ' ASN . . . -119.44 -167.74 13.76 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.433 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.476 ' ND2' ' HA ' ' A' ' 70' ' ' GLN . 5.4 m-20 35.81 53.95 0.89 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.935 0.398 . . . . 0.0 110.855 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.413 ' NZ ' ' O ' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -88.98 104.45 16.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 179.887 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -157.01 -47.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 162.37 32.45 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.496 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.427 ' C ' HD11 ' A' ' 69' ' ' LEU . 21.2 p -152.5 -95.55 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.869 0.366 . . . . 0.0 110.877 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.634 ' HA ' ' CD2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER 177.32 174.83 0.44 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.476 ' HA ' ' ND2' ' A' ' 64' ' ' ASN . 0.0 OUTLIER -110.81 157.59 19.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.968 179.93 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.539 ' SG ' ' CZ ' ' A' ' 51' ' ' PHE . 5.5 t -85.2 114.86 58.54 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.54 0.686 . . . . 0.0 110.91 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.469 ' CD ' HD21 ' A' ' 56' ' ' LEU . 54.1 Cg_endo -69.77 -26.84 27.11 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.654 2.236 . . . . 0.0 112.385 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.4 t -57.95 -71.79 0.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 21.1 p -107.83 31.35 5.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.95 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.5 mmtm 48.48 33.11 3.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.464 ' CG2' ' HB3' ' A' ' 46' ' ' LYS . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.419 ' HB ' ' C ' ' A' ' 43' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.675 0.274 . . . . 0.0 111.146 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 5' ' ' GLU . 4.8 tt0 -84.83 107.59 17.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 4' ' ' GLU . 8.8 tt0 -35.06 133.47 0.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.2 OUTLIER -85.89 103.03 14.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.947 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -37.31 -28.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.837 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.495 ' N ' ' O ' ' A' ' 6' ' ' LEU . 0.9 OUTLIER -136.01 144.09 46.88 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.662 0.744 . . . . 0.0 111.104 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 138.83 38.48 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.656 2.238 . . . . 0.0 112.325 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 11' ' ' ASP . 53.3 Cg_endo -69.69 -34.36 14.97 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.748 2.299 . . . . 0.0 112.331 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 10' ' ' PRO . 1.1 t0 83.0 10.62 0.55 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.487 ' O ' ' CB ' ' A' ' 13' ' ' ASP . 1.7 mm-40 -67.89 -93.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 1.1 t0 161.21 115.89 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.489 ' N ' ' O ' ' A' ' 19' ' ' GLU . 37.3 t -39.44 144.3 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -100.06 -13.97 8.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.14 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.465 ' CD1' ' HB3' ' A' ' 55' ' ' CYS . 74.5 mt -84.71 -71.89 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.074 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.46 ' SG ' ' CB ' ' A' ' 19' ' ' GLU . 20.8 p -79.76 3.61 18.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 56.19 25.7 9.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 14' ' ' CYS . 12.3 tp10 -105.43 161.7 14.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -58.82 143.9 45.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.409 ' HG ' ' N ' ' A' ' 14' ' ' CYS . 10.7 mt -79.82 12.34 2.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -102.02 -47.48 4.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.861 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.437 ' OG1' ' N ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -58.32 -90.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.141 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.437 ' N ' ' OG1' ' A' ' 23' ' ' THR . . . -178.49 165.31 1.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.465 ' CB ' ' HB3' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -54.81 112.06 0.96 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.727 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.52 -21.36 57.47 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.498 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.475 ' O ' ' N ' ' A' ' 29' ' ' ASP . 3.3 m-85 -72.49 -22.14 61.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.834 0.35 . . . . 0.0 110.896 -179.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.0 p -38.31 -28.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -45.05 -64.06 0.79 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 179.909 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.4 m -108.71 -6.12 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.216 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.402 ' CG2' ' HB2' ' A' ' 58' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.173 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.421 ' CD1' ' HB2' ' A' ' 57' ' ' LEU . 72.2 mt . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.831 0.348 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 39' ' ' LEU . . . 101.65 100.84 2.49 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.512 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' ' 39' ' ' LEU . 4.8 p -40.11 94.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.923 0.392 . . . . 0.0 110.82 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.497 ' CB ' ' O ' ' A' ' 38' ' ' SER . 0.4 OUTLIER 161.31 -21.72 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.956 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -82.46 101.23 10.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.07 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.2 t -79.6 116.87 24.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -129.56 141.74 12.91 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.422 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.469 ' CD2' ' HA ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -120.63 127.34 51.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.819 0.342 . . . . 0.0 110.894 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.4 mt -62.54 122.39 15.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 16.1 p -80.51 9.23 6.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.148 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.19 -36.54 14.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.595 ' SG ' ' CD2' ' A' ' 49' ' ' HIS . 7.6 p -124.52 -16.23 6.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.885 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 2.1 t 83.42 39.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.595 ' CD2' ' SG ' ' A' ' 47' ' ' CYS . 7.9 m170 -109.51 149.42 29.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.825 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.603 ' C ' ' CG ' ' A' ' 51' ' ' PHE . . . -122.55 163.25 20.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.045 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.646 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 0.0 OUTLIER 169.88 173.84 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.856 -179.886 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.408 ' CE1' ' HB2' ' A' ' 14' ' ' CYS . 30.1 m170 -66.8 111.43 3.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 15.2 mt -43.37 -60.7 1.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.465 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 0.9 OUTLIER -46.32 -65.23 0.58 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.967 179.899 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.465 ' HB3' ' CD1' ' A' ' 16' ' ' ILE . 69.7 m -39.55 -50.77 2.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.64 ' CD1' ' CD1' ' A' ' 51' ' ' PHE . 7.7 mt -60.21 -58.57 7.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.004 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.421 ' HB2' ' CD1' ' A' ' 36' ' ' LEU . 9.2 tp -40.26 -39.95 1.04 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.908 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.402 ' HB2' ' CG2' ' A' ' 31' ' ' THR . . . -66.77 -66.23 0.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.076 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.468 ' CE ' ' HB3' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -64.13 -8.85 13.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.611 ' C ' ' CD2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -67.49 -17.08 64.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 -179.882 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 46.9 t -62.61 -9.37 8.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.966 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -97.02 -57.69 2.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 64' ' ' ASN . . . -118.88 179.65 16.81 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.452 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 63' ' ' GLY . 5.9 t-20 34.43 45.87 0.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.882 0.372 . . . . 0.0 110.904 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.461 ' HA ' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -78.76 68.42 4.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.931 179.872 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -115.13 31.25 6.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.84 56.08 20.92 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.492 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.469 ' CB ' HD11 ' A' ' 69' ' ' LEU . 16.1 m -164.26 -73.14 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.857 0.36 . . . . 0.0 110.838 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.505 ' C ' ' CD2' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -179.89 -178.3 0.43 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.468 ' HB3' ' CE ' ' A' ' 59' ' ' MET . 30.2 tt0 -137.56 154.19 49.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.46 ' N ' ' HG2' ' A' ' 70' ' ' GLN . 36.6 t -100.04 100.16 10.89 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.606 0.717 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 0.37 5.74 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.657 2.238 . . . . 0.0 112.302 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.05 -63.14 1.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.869 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.3 p -118.77 18.73 13.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.854 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 44.45 50.81 8.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.945 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.469 ' HB ' ' N ' ' A' ' 43' ' ' HIS . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.734 0.302 . . . . 0.0 111.129 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -102.6 115.08 29.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -39.26 145.39 0.11 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.945 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 16.4 mt -112.53 139.71 47.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -16.21 24.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -160.08 153.96 19.47 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.615 0.721 . . . . 0.0 111.114 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 127.99 15.44 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.752 2.301 . . . . 0.0 112.3 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.47 ' HG2' ' CD1' ' A' ' 21' ' ' LEU . 53.0 Cg_endo -69.84 -163.83 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.708 2.272 . . . . 0.0 112.321 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.25 50.23 1.33 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -111.87 -26.95 8.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 65.39 128.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.814 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.458 ' N ' ' HG ' ' A' ' 21' ' ' LEU . 47.0 t -40.6 157.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -117.32 -20.54 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.135 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -74.02 -69.97 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 28.3 p -81.12 2.12 28.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 2.3 mtp 52.36 50.84 17.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.905 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -128.99 -178.38 4.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.3 mttt -70.77 139.99 51.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.47 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 7.5 mt -70.58 -0.02 7.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.986 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 p -113.52 -11.76 13.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.67 10.64 15.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.083 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.524 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . 75.27 170.78 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.446 ' CB ' ' HB3' ' A' ' 54' ' ' LEU . 0.3 OUTLIER -73.44 124.31 25.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.844 -179.815 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -70.87 -15.05 73.62 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.513 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -77.86 -24.77 48.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.941 0.4 . . . . 0.0 110.909 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.8 t -43.09 -28.1 0.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.65 -45.16 9.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.857 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.1 p -134.27 2.49 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.127 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.198 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.43 HD12 ' N ' ' A' ' 54' ' ' LEU . 56.2 mt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.798 0.332 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.24 3.75 13.67 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.492 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 49.61 26.36 1.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.892 0.377 . . . . 0.0 110.876 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.405 ' O ' ' CG ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -127.97 33.24 4.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -141.38 150.43 42.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.046 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -116.3 122.11 69.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.408 ' C ' ' HB ' ' A' ' 3' ' ' THR . . . -134.1 135.51 8.04 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.503 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.469 ' N ' ' HB ' ' A' ' 3' ' ' THR . 2.6 p80 -111.86 123.1 49.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.812 0.339 . . . . 0.0 110.771 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.01 129.28 37.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.5 p -84.3 24.03 1.01 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -108.03 -40.33 5.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.546 ' SG ' ' CD2' ' A' ' 49' ' ' HIS . 7.5 p -124.44 -16.49 6.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.874 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 1.3 t 83.13 31.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.546 ' CD2' ' SG ' ' A' ' 47' ' ' CYS . 8.9 m170 -100.34 124.9 46.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.601 ' C ' ' CG ' ' A' ' 51' ' ' PHE . . . -100.6 163.62 12.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.648 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 0.0 OUTLIER 171.11 -179.18 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.524 ' CE1' ' O ' ' A' ' 24' ' ' ALA . 32.8 m170 -73.76 105.8 5.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 22.6 mt -39.24 -51.15 1.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.914 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.548 ' C ' ' CD1' ' A' ' 54' ' ' LEU . 0.1 OUTLIER -56.11 -70.0 0.13 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.436 ' C ' ' O ' ' A' ' 54' ' ' LEU . 61.3 m -35.69 -44.41 0.33 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.643 ' CD1' ' CD1' ' A' ' 51' ' ' PHE . 7.3 mt -67.84 -56.78 7.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.417 ' CD1' ' O ' ' A' ' 68' ' ' SER . 0.3 OUTLIER -45.97 -25.36 0.54 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.953 179.854 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.73 -65.7 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.102 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.468 ' CE ' ' HB3' ' A' ' 70' ' ' GLN . 0.3 OUTLIER -72.66 -13.69 61.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.832 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.585 ' C ' ' CD2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -55.52 -17.07 4.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.997 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.433 ' N ' ' CD2' ' A' ' 60' ' ' TYR . 42.3 t -61.46 -9.29 5.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -95.57 -56.49 2.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 64' ' ' ASN . . . -123.07 176.43 16.61 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.421 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.452 ' C ' ' O ' ' A' ' 63' ' ' GLY . 2.9 t-20 34.43 51.25 0.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.853 0.359 . . . . 0.0 110.888 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.541 ' HA ' ' CE1' ' A' ' 60' ' ' TYR . 1.7 ttpm? -102.2 70.26 1.18 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.959 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.01 -28.03 7.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.871 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 154.43 56.52 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.462 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.445 ' OG ' ' CD1' ' A' ' 69' ' ' LEU . 1.6 t -176.12 -91.71 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.902 0.382 . . . . 0.0 110.864 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.568 ' C ' ' CD2' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -169.42 -173.65 1.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.468 ' HB3' ' CE ' ' A' ' 59' ' ' MET . 64.3 tt0 -124.89 157.53 35.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.958 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 72' ' ' PRO . 16.9 t -104.25 104.17 42.72 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.595 0.712 . . . . 0.0 110.834 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 71' ' ' CYS . 54.4 Cg_endo -69.73 -12.27 32.62 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.732 2.288 . . . . 0.0 112.389 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.411 ' HB3' ' ND1' ' A' ' 49' ' ' HIS . 0.3 OUTLIER -70.49 -56.89 5.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.845 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.5 p -126.78 30.5 5.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.3 mptt 43.44 47.98 6.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.161 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.412 ' HB ' ' C ' ' A' ' 43' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.771 0.32 . . . . 0.0 111.098 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 5' ' ' GLU . 4.9 tt0 -140.0 119.99 13.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 4' ' ' GLU . 6.7 tt0 -35.35 144.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.867 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.41 ' C ' ' N ' ' A' ' 8' ' ' VAL . 10.0 mt -105.22 111.11 23.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.5 mmtm -44.63 -22.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.41 ' N ' ' C ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -142.02 160.37 55.68 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.662 0.744 . . . . 0.0 111.099 179.904 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.89 127.98 15.26 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.658 2.239 . . . . 0.0 112.301 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.465 ' O ' ' CB ' ' A' ' 11' ' ' ASP . 53.7 Cg_endo -69.79 -34.68 14.0 Favored 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 122.713 2.275 . . . . 0.0 112.375 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 10' ' ' PRO . 2.2 t0 82.94 18.19 0.27 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.497 ' O ' ' CB ' ' A' ' 13' ' ' ASP . 0.3 OUTLIER -77.37 -29.21 53.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.918 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 3.8 t70 82.95 120.34 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.444 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 27.1 t -45.66 162.23 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.82 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -120.5 -16.75 6.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.157 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.577 ' CG2' ' CE1' ' A' ' 27' ' ' TYR . 78.7 mt -80.7 -70.7 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.8 p -82.33 6.39 17.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 19.1 mmm 47.4 63.19 2.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -138.33 176.67 8.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.832 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.7 mtmp? -72.73 133.23 44.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.43 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 9.6 mt -67.96 -8.38 36.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.0 t -91.79 -32.79 15.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.556 ' CG2' ' N ' ' A' ' 24' ' ' ALA . 4.3 m -65.37 -90.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.119 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.556 ' N ' ' CG2' ' A' ' 23' ' ' THR . . . 175.32 155.61 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.124 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.6 t -45.79 144.67 1.64 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -92.66 -14.54 55.16 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.421 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.577 ' CE1' ' CG2' ' A' ' 16' ' ' ILE . 11.8 m-30 -92.47 0.46 57.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.913 0.387 . . . . 0.0 110.921 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.5 t -52.47 -19.86 2.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.884 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -55.96 -45.35 78.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.851 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.3 t -108.62 -61.94 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.131 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 50.1 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.129 -179.893 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.463 ' CD1' ' HB2' ' A' ' 57' ' ' LEU . 2.6 mt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.728 0.299 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 110.14 139.98 8.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.8 m -76.02 49.12 0.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.886 0.374 . . . . 0.0 110.857 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -179.56 40.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -132.51 124.42 28.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.444 HG11 ' CD ' ' A' ' 10' ' ' PRO . 1.5 t -97.51 134.3 36.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -135.2 133.34 6.67 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.483 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.543 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -107.26 117.54 34.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.803 0.335 . . . . 0.0 110.824 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.441 ' CD1' HD23 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -59.64 115.77 3.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 20.2 p -75.28 2.85 10.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.0 tppt? -86.76 -42.73 13.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.947 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.592 ' SG ' ' CD2' ' A' ' 49' ' ' HIS . 7.2 p -124.35 -16.59 6.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 1.7 t 83.26 42.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.834 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.592 ' CD2' ' SG ' ' A' ' 47' ' ' CYS . 8.4 m170 -112.72 125.42 54.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.868 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.574 ' C ' ' CG ' ' A' ' 51' ' ' PHE . . . -96.25 162.48 13.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.693 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 0.0 OUTLIER 170.49 169.6 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.862 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.444 ' CE1' ' HB2' ' A' ' 14' ' ' CYS . 27.5 m170 -64.96 104.22 0.83 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.773 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 19.3 mt -38.9 -52.68 1.76 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.47 -69.75 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 76.4 m -38.11 -45.51 0.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.652 ' CD1' ' CD1' ' A' ' 51' ' ' PHE . 12.8 mt -63.85 -47.87 79.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.463 ' HB2' ' CD1' ' A' ' 36' ' ' LEU . 17.2 tp -43.63 -33.07 1.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.37 -66.34 0.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.465 ' SD ' ' N ' ' A' ' 60' ' ' TYR . 3.0 ppp? -56.86 -16.66 7.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.574 ' C ' ' CD2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -66.56 -14.87 62.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 -179.879 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.3 m -63.23 -10.02 13.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -97.36 -56.85 2.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.965 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.466 ' HA3' ' NE2' ' A' ' 70' ' ' GLN . . . -117.88 -174.47 16.6 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.528 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 76' ' ' THR . 9.2 m-20 34.27 45.88 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.901 0.382 . . . . 0.0 110.941 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.566 ' HA ' ' CE1' ' A' ' 60' ' ' TYR . 2.6 ttpp -87.28 77.69 8.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.844 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -121.39 -42.0 2.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.835 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 156.84 39.48 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.46 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.418 ' C ' HD13 ' A' ' 69' ' ' LEU . 58.6 m -155.62 -94.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.874 0.369 . . . . 0.0 110.824 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.542 ' C ' ' CD2' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -159.45 -173.42 4.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.472 ' N ' ' HB2' ' A' ' 60' ' ' TYR . 50.4 tt0 -134.64 157.7 45.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.948 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.456 ' N ' ' HG2' ' A' ' 70' ' ' GLN . 7.6 t -98.9 101.36 11.96 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.605 0.717 . . . . 0.0 110.935 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -6.79 19.45 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.667 2.244 . . . . 0.0 112.352 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.79 -68.4 0.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.6 p -111.54 10.85 21.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? 60.02 51.67 5.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.957 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.458 ' O ' ' ND2' ' A' ' 64' ' ' ASN . 1.4 m . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.114 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.453 ' CG2' ' HA ' ' A' ' 44' ' ' LEU . 50.4 p . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 120.753 0.311 . . . . 0.0 111.111 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -133.26 121.1 21.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -47.22 146.52 1.85 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.402 ' N ' HD22 ' A' ' 6' ' ' LEU . 0.7 OUTLIER -99.52 123.88 44.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.958 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.435 ' O ' ' CG1' ' A' ' 8' ' ' VAL . 1.8 tttp -57.24 -18.75 17.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.966 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.435 ' CG1' ' O ' ' A' ' 7' ' ' LYS . 3.1 m -163.82 147.32 8.1 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.607 0.718 . . . . 0.0 111.175 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.88 110.34 2.56 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.66 2.24 . . . . 0.0 112.33 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -165.39 0.15 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.641 2.227 . . . . 0.0 112.364 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -101.87 40.82 1.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -100.38 -34.96 9.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.813 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.459 ' CA ' ' HG ' ' A' ' 21' ' ' LEU . 55.0 m-20 61.58 132.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.795 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.561 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 53.4 t -39.01 159.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -117.86 -25.03 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.076 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.462 HD12 ' CD2' ' A' ' 56' ' ' LEU . 0.3 OUTLIER -74.74 -66.84 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 18' ' ' MET . 14.5 p -86.57 16.74 4.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.43 ' C ' ' O ' ' A' ' 17' ' ' CYS . 6.7 mtt 35.1 69.06 0.18 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -140.99 -177.39 5.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.9 mtpt -75.18 138.02 41.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.923 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.459 ' HG ' ' CA ' ' A' ' 13' ' ' ASP . 7.0 mt -69.82 -2.79 13.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.3 t -109.94 -10.27 14.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 55.0 p -96.24 34.33 1.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.125 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.413 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . 49.92 178.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.405 ' HA ' ' ND1' ' A' ' 52' ' ' HIS . 0.1 OUTLIER -69.72 145.42 52.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.799 -179.754 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -87.17 -30.92 18.52 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.51 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.436 ' O ' ' N ' ' A' ' 29' ' ' ASP . 11.9 m-30 -73.12 -18.17 61.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.927 0.394 . . . . 0.0 110.925 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.1 t -40.09 -27.31 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.853 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 27' ' ' TYR . 0.4 OUTLIER -54.15 -45.98 72.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.437 ' O ' ' C ' ' A' ' 31' ' ' THR . 0.2 OUTLIER -110.46 -62.66 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.172 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 30' ' ' VAL . 1.3 p . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.178 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.7 mt . . . . . 0 C--O 1.229 0.023 0 CA-C-O 120.953 0.406 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.82 -0.94 5.14 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.507 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 68.75 9.12 7.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.943 0.401 . . . . 0.0 110.853 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -134.09 27.35 3.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -132.45 109.49 9.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.066 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -96.82 128.0 48.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -139.06 153.93 23.06 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.478 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.415 ' CD2' ' OG ' ' A' ' 48' ' ' SER . 7.2 p-80 -104.34 153.93 20.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.808 0.337 . . . . 0.0 110.852 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.583 ' CD1' ' CD2' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -82.46 118.04 22.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.981 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 59.8 p -53.85 -14.74 1.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.14 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.433 ' CB ' HG23 ' A' ' 76' ' ' THR . 3.3 mmmt -71.76 -28.05 63.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 48' ' ' SER . 26.1 p -143.42 -44.34 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 0.3 OUTLIER 83.02 74.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.834 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.569 ' HB2' ' CE1' ' A' ' 51' ' ' PHE . 27.1 m170 -116.73 -24.76 7.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.847 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.6 ' C ' ' CG ' ' A' ' 51' ' ' PHE . . . 73.98 137.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.105 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.64 ' CD2' ' N ' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -172.95 159.13 3.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.93 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.561 ' CE1' ' HB2' ' A' ' 14' ' ' CYS . 42.1 m170 -60.07 98.79 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 52' ' ' HIS . 28.8 mt -36.16 -43.97 0.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.529 ' C ' ' CD1' ' A' ' 54' ' ' LEU . 0.3 OUTLIER -60.1 -67.04 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 90.3 m -43.59 -39.19 3.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.926 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 58' ' ' ALA . 10.5 mt -68.46 -57.34 5.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -37.89 -28.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.868 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 56' ' ' LEU . . . -86.57 -60.62 1.94 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.4 ttp -63.17 -8.53 8.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.507 ' CD2' ' N ' ' A' ' 61' ' ' CYS . 0.0 OUTLIER -78.46 -38.0 42.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.507 ' N ' ' CD2' ' A' ' 60' ' ' TYR . 85.8 m -35.16 -31.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.875 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 60' ' ' TYR . 2.1 m-20 -97.53 -71.74 0.67 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.494 ' O ' ' N ' ' A' ' 65' ' ' LYS . . . -60.27 148.0 44.25 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.514 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.584 ' N ' ' NE2' ' A' ' 70' ' ' GLN . 1.8 m-20 57.18 -80.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.914 0.387 . . . . 0.0 110.877 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 63' ' ' GLY . 0.0 OUTLIER 67.56 122.18 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.897 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -178.93 -47.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.825 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.448 ' N ' ' OH ' ' A' ' 60' ' ' TYR . . . 145.07 45.27 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.516 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.462 ' CB ' HD13 ' A' ' 69' ' ' LEU . 13.2 m -158.62 -73.17 0.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.968 0.413 . . . . 0.0 110.861 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.583 ' CD2' ' CD1' ' A' ' 44' ' ' LEU . 0.0 OUTLIER 178.6 -172.91 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.946 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.584 ' NE2' ' N ' ' A' ' 64' ' ' ASN . 3.4 tp-100 -145.79 156.7 43.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.988 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.452 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 18.1 t -89.42 109.2 29.83 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.615 0.722 . . . . 0.0 110.894 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.553 ' HD2' ' CD1' ' A' ' 51' ' ' PHE . 53.9 Cg_endo -69.75 -0.87 7.53 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.637 2.225 . . . . 0.0 112.361 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.441 ' OG ' ' N ' ' A' ' 74' ' ' CYS . 1.1 t -98.61 -87.37 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 76' ' ' THR . 14.5 p -88.18 32.89 0.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 74' ' ' CYS . 0.0 OUTLIER 34.27 33.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.901 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.492 ' N ' ' O ' ' A' ' 74' ' ' CYS . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.1 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.421 ' HB ' ' N ' ' A' ' 43' ' ' HIS . 1.6 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.758 0.313 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.467 ' O ' ' CD2' ' A' ' 6' ' ' LEU . 9.5 tt0 -102.07 107.99 19.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -40.74 138.73 0.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.467 ' CD2' ' O ' ' A' ' 4' ' ' GLU . 6.3 mt -108.39 120.44 42.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -42.49 -23.52 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.434 ' N ' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -151.43 158.59 34.3 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.55 0.691 . . . . 0.0 111.161 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 135.5 30.7 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.686 2.257 . . . . 0.0 112.4 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -90.84 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.672 2.248 . . . . 0.0 112.366 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 168.7 33.96 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.887 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.436 ' O ' ' CB ' ' A' ' 13' ' ' ASP . 9.1 tm-20 -101.35 -37.63 8.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.454 ' CA ' ' HG ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER 78.51 127.54 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.507 ' HB2' ' CG ' ' A' ' 52' ' ' HIS . 43.0 t -46.54 147.23 1.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -100.92 -23.5 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.168 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.516 HG21 ' CZ ' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -64.87 -70.01 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 179.826 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' A' ' 18' ' ' MET . 31.5 p -95.19 20.84 8.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.942 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.427 ' C ' ' O ' ' A' ' 17' ' ' CYS . 1.1 ptp 34.58 70.85 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -135.19 -178.34 5.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.6 mttt -80.95 127.54 32.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.454 ' HG ' ' CA ' ' A' ' 13' ' ' ASP . 11.6 mt -61.81 -10.02 8.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.1 p -87.44 -38.68 15.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.465 ' CG2' ' N ' ' A' ' 24' ' ' ALA . 17.2 m -61.26 -92.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.163 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.468 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . -176.84 177.55 1.31 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.128 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.454 ' CB ' ' HB3' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -71.09 125.66 27.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.899 -179.829 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.16 -0.46 65.81 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.516 ' CZ ' HG21 ' A' ' 16' ' ' ILE . 6.4 m-30 -100.5 -18.86 16.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.862 0.363 . . . . 0.0 110.891 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.22 -21.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.79 -63.71 0.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.857 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -137.69 86.99 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.176 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.843 0.354 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.473 ' O ' ' CB ' ' A' ' 38' ' ' SER . . . -68.04 -82.87 0.15 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.507 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' A' ' 37' ' ' GLY . 0.2 OUTLIER 162.59 -34.23 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.919 0.39 . . . . 0.0 110.867 -179.787 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.49 ' O ' ' CD2' ' A' ' 39' ' ' LEU . 3.3 tt -89.16 19.93 4.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -110.82 151.58 27.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.081 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.42 ' CG1' HD21 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -120.66 140.9 43.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.062 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.413 ' C ' ' HB ' ' A' ' 3' ' ' THR . . . -142.02 131.46 4.76 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.505 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.535 ' CG ' ' O ' ' A' ' 43' ' ' HIS . 5.4 p80 -102.3 112.2 24.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.815 0.341 . . . . 0.0 110.888 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.459 ' CD1' HD23 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -50.55 118.82 3.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.945 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 69.1 p -76.85 8.2 3.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.122 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.02 -40.8 10.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.591 ' SG ' ' CD2' ' A' ' 49' ' ' HIS . 7.6 p -124.75 -15.63 6.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 1.3 p 84.01 33.46 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.591 ' CD2' ' SG ' ' A' ' 47' ' ' CYS . 7.5 m170 -105.09 137.5 42.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.858 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.601 ' C ' ' CG ' ' A' ' 51' ' ' PHE . . . -111.35 165.39 11.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.672 ' CD2' ' N ' ' A' ' 51' ' ' PHE . 0.0 OUTLIER 172.64 -171.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.871 -179.884 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.507 ' CG ' ' HB2' ' A' ' 14' ' ' CYS . 42.1 m170 -82.4 110.76 17.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.935 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 24.2 mt -40.99 -70.12 0.11 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.545 ' C ' ' CD1' ' A' ' 54' ' ' LEU . 0.1 OUTLIER -39.58 -61.19 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 74.0 m -43.51 -53.1 5.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.657 ' CD1' ' CD2' ' A' ' 51' ' ' PHE . 4.9 mt -60.71 -60.64 3.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -42.51 -35.32 1.03 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.34 -66.34 0.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.049 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.466 ' CE ' ' HB3' ' A' ' 70' ' ' GLN . 0.1 OUTLIER -70.86 -8.51 53.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.886 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.636 ' C ' ' CD1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -59.4 -14.43 12.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.904 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.444 ' N ' ' CD1' ' A' ' 60' ' ' TYR . 0.5 OUTLIER -69.49 -9.92 55.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.849 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -97.41 -59.47 1.78 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 65' ' ' LYS . . . -105.66 -176.78 23.99 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.528 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.447 ' OD1' ' C ' ' A' ' 76' ' ' THR . 3.5 m-20 40.66 -92.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.913 0.387 . . . . 0.0 110.941 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.558 ' HA ' ' CE2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER 58.09 30.82 19.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 179.89 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.85 -14.24 61.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.833 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 123.85 49.25 0.22 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.458 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.446 ' OG ' ' N ' ' A' ' 69' ' ' LEU . 19.5 p -175.52 -63.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.898 0.38 . . . . 0.0 110.878 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.557 ' C ' ' CD2' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -175.66 -173.69 0.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.466 ' HB3' ' CE ' ' A' ' 59' ' ' MET . 0.9 OUTLIER -133.98 152.81 52.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.451 ' C ' ' OE1' ' A' ' 70' ' ' GLN . 8.1 t -99.81 100.59 11.48 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.643 0.735 . . . . 0.0 110.871 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 71' ' ' CYS . 53.8 Cg_endo -69.78 -0.66 7.24 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.665 2.243 . . . . 0.0 112.342 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.18 -53.77 6.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.5 p -130.04 5.68 4.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.856 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.3 mptt 54.24 50.14 17.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.447 ' C ' ' OD1' ' A' ' 64' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.15 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 120.711 0.291 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -112.55 120.13 40.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -44.97 140.83 2.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.403 ' CD1' ' HG3' ' A' ' 10' ' ' PRO . 8.8 mt -97.99 113.6 25.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.9 mtmt -54.41 -18.32 4.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.475 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 98.9 t -140.52 138.95 19.35 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.588 0.708 . . . . 0.0 111.118 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.475 ' HD2' ' CG1' ' A' ' 8' ' ' VAL . 53.5 Cg_endo -69.77 110.33 2.53 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.674 2.249 . . . . 0.0 112.349 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.403 ' HG3' ' CD1' ' A' ' 6' ' ' LEU . 53.5 Cg_endo -69.79 -163.81 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.68 2.253 . . . . 0.0 112.306 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -120.7 20.89 11.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.792 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -67.67 -37.12 81.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.461 ' CA ' ' HG ' ' A' ' 21' ' ' LEU . 0.6 OUTLIER 65.0 129.09 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.934 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.508 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 36.8 t -42.79 160.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.839 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -121.76 -15.97 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.115 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.501 HG21 ' CE2' ' A' ' 27' ' ' TYR . 66.3 mt -82.14 -70.66 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.461 ' SG ' ' CG ' ' A' ' 19' ' ' GLU . 17.4 p -77.8 -1.76 33.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 55.34 53.59 9.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.461 ' CG ' ' SG ' ' A' ' 17' ' ' CYS . 6.5 mm-40 -128.92 -175.63 3.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.856 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.7 mtmt -79.26 139.81 37.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.461 ' HG ' ' CA ' ' A' ' 13' ' ' ASP . 7.0 mt -64.52 -8.0 12.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.956 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.71 -20.73 13.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.0 p -83.31 35.18 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.101 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.474 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . 51.48 178.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.082 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.71 131.49 34.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -74.71 -10.1 83.0 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.459 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.501 ' CE2' HG21 ' A' ' 16' ' ' ILE . 3.4 m-85 -84.82 -21.23 29.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.87 0.366 . . . . 0.0 110.884 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.1 t -52.16 -17.58 1.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.829 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.5 -51.09 70.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.3 p -123.32 9.26 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.455 ' CG2' ' HB3' ' A' ' 58' ' ' ALA . 1.5 m . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.599 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.851 0.358 . . . . 0.0 110.938 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.42 161.71 27.32 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.468 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.28 -3.58 31.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.846 0.355 . . . . 0.0 110.803 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.61 12.2 16.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -113.75 121.17 43.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.064 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.3 t -99.94 113.42 35.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.212 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -125.27 145.77 15.85 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.45 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 -121.21 123.27 41.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.86 0.362 . . . . 0.0 110.857 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.05 124.92 20.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.952 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.2 p -79.1 9.6 4.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.52 -40.75 14.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.586 ' SG ' ' CD2' ' A' ' 49' ' ' HIS . 7.6 p -124.46 -16.42 6.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 0.9 OUTLIER 83.37 38.86 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.785 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.586 ' CD2' ' SG ' ' A' ' 47' ' ' CYS . 7.6 m170 -109.85 133.6 52.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.598 ' C ' ' CG ' ' A' ' 51' ' ' PHE . . . -106.71 164.35 12.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.657 ' CD2' ' N ' ' A' ' 51' ' ' PHE . 0.0 OUTLIER 171.22 -170.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.805 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.508 ' CE1' ' HB2' ' A' ' 14' ' ' CYS . 32.4 m170 -81.07 108.73 14.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.84 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.427 ' HB3' ' CB ' ' A' ' 36' ' ' LEU . 34.8 mt -43.24 -47.42 6.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 55' ' ' CYS . 0.0 OUTLIER -60.0 -69.0 0.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.856 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.426 ' C ' ' O ' ' A' ' 54' ' ' LEU . 90.1 m -36.61 -48.8 0.72 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.814 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.643 ' CD1' ' CD2' ' A' ' 51' ' ' PHE . 3.0 mt -65.53 -57.87 7.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.927 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -43.33 -31.26 0.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.455 ' HB3' ' CG2' ' A' ' 31' ' ' THR . . . -66.67 -66.31 0.57 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -72.24 -8.44 54.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.592 ' C ' ' CD1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -58.92 -19.05 39.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.9 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.497 ' N ' ' CD1' ' A' ' 60' ' ' TYR . 0.5 OUTLIER -60.12 -13.82 13.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -97.45 -63.61 1.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 65' ' ' LYS . . . -85.83 169.46 42.6 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.49 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 40.18 -92.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.899 0.38 . . . . 0.0 110.917 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.566 ' HA ' ' CE2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER 66.43 31.86 7.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -80.85 -21.7 40.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 132.2 52.64 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.51 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.417 ' C ' HD11 ' A' ' 69' ' ' LEU . 1.1 t -171.33 -71.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.365 . . . . 0.0 110.83 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.55 ' C ' ' CD2' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -177.71 -174.69 0.47 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.964 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.471 ' HG2' ' N ' ' A' ' 71' ' ' CYS . 6.7 tt0 -132.14 150.99 52.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.471 ' N ' ' HG2' ' A' ' 70' ' ' GLN . 8.9 t -97.94 102.52 13.82 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.648 0.737 . . . . 0.0 110.866 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.468 ' HG3' ' CG1' ' A' ' 16' ' ' ILE . 53.6 Cg_endo -69.82 -10.27 28.1 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.67 2.247 . . . . 0.0 112.335 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.47 -60.31 2.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.5 p -122.01 20.38 10.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.12 66.39 1.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.916 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.422 ' HB ' ' N ' ' A' ' 43' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.753 0.311 . . . . 0.0 111.175 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 5' ' ' GLU . 33.6 tt0 -103.84 98.49 8.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 4' ' ' GLU . 14.1 tt0 -35.08 109.41 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.928 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.445 ' N ' ' CD2' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -68.45 -11.88 60.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.932 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.417 ' C ' HG21 ' A' ' 8' ' ' VAL . 0.2 OUTLIER 65.62 4.97 3.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 179.891 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.445 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -172.06 166.34 3.75 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.613 0.72 . . . . 0.0 111.18 179.867 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.445 ' HD2' ' CB ' ' A' ' 8' ' ' VAL . 53.6 Cg_endo -69.84 131.74 21.76 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.668 2.245 . . . . 0.0 112.328 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -90.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.64 2.227 . . . . 0.0 112.373 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.0 p30 174.77 52.28 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.51 ' O ' ' CB ' ' A' ' 13' ' ' ASP . 30.2 mp0 -144.05 -97.48 0.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 4.1 m-20 159.68 144.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.845 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.3 t -53.65 158.43 1.88 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.86 -18.54 7.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.149 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.47 ' CG2' ' CE1' ' A' ' 27' ' ' TYR . 68.1 mt -83.52 -70.75 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 14.6 p -81.47 3.02 26.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 43.14 64.76 1.11 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -137.92 -172.93 3.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -73.33 123.03 22.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.421 ' HG ' ' C ' ' A' ' 13' ' ' ASP . 7.6 mt -57.91 -11.76 2.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.987 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.6 t -93.37 -41.22 9.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 33.7 p -51.6 -89.01 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.178 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 174.22 171.01 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.084 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.4 t -67.83 121.27 15.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -70.09 -6.46 56.91 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.521 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.47 ' CE1' ' CG2' ' A' ' 16' ' ' ILE . 8.5 m-30 -92.23 -11.81 34.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.889 0.376 . . . . 0.0 110.899 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.1 -26.04 0.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.823 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -45.56 -47.44 14.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -163.95 84.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.459 HD11 ' CD2' ' A' ' 57' ' ' LEU . 6.5 mp . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.852 0.358 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.76 -8.35 66.26 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.514 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.414 ' CB ' HD21 ' A' ' 54' ' ' LEU . 78.1 p 52.0 69.79 0.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.822 0.344 . . . . 0.0 110.786 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.8 tp 174.31 -27.5 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.59 129.95 44.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.015 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -102.31 127.26 56.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.16 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.4 ' HA3' ' CD2' ' A' ' 53' ' ' LEU . . . -123.58 149.04 16.85 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.474 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.559 ' CE1' ' HB3' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -124.51 95.72 4.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.828 0.347 . . . . 0.0 110.9 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.531 ' CD1' ' CD2' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -53.34 89.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.945 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.414 ' N ' ' O ' ' A' ' 43' ' ' HIS . 11.9 p -45.63 -21.18 0.09 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.128 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.39 -46.63 47.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.594 ' SG ' ' CD2' ' A' ' 49' ' ' HIS . 7.7 p -125.07 -14.79 6.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.829 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 1.5 t 84.53 34.34 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.594 ' CD2' ' SG ' ' A' ' 47' ' ' CYS . 6.4 m170 -107.91 120.78 43.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.602 ' C ' ' CG ' ' A' ' 51' ' ' PHE . . . -96.01 164.35 12.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.676 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 0.0 OUTLIER 174.63 -169.83 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.812 -179.916 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -82.7 105.95 14.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.4 ' CD2' ' HA3' ' A' ' 42' ' ' GLY . 79.8 mt -42.18 -38.26 1.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.42 ' C ' HD12 ' A' ' 54' ' ' LEU . 0.3 OUTLIER -64.72 -68.61 0.34 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 179.884 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.451 ' CB ' HD11 ' A' ' 16' ' ' ILE . 69.4 m -41.51 -41.38 2.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.646 ' CD1' ' CD1' ' A' ' 51' ' ' PHE . 7.4 mt -70.33 -58.12 4.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.459 ' CD2' HD11 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -45.49 -23.19 0.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.21 -66.35 0.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.077 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -70.41 -10.91 60.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.567 ' CE1' ' HA ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -56.94 -26.65 59.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.873 -179.825 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.565 ' N ' ' CD2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -45.83 -21.48 0.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.921 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -97.46 -61.73 1.35 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 65' ' ' LYS . . . -58.46 -152.52 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.509 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 76' ' ' THR . 0.7 OUTLIER -52.97 84.83 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.868 0.366 . . . . 0.0 110.887 -179.895 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.567 ' HA ' ' CE1' ' A' ' 60' ' ' TYR . 13.8 ttpt -85.3 79.26 9.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.943 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -130.06 31.99 4.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 75.26 62.02 2.85 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.501 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.418 ' C ' HD12 ' A' ' 69' ' ' LEU . 8.2 m -165.83 -95.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.867 0.365 . . . . 0.0 110.881 -179.732 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.56 ' C ' ' CD2' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -171.97 -173.7 1.18 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.457 ' HG2' ' N ' ' A' ' 71' ' ' CYS . 47.1 tt0 -136.44 155.1 50.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.457 ' N ' ' HG2' ' A' ' 70' ' ' GLN . 11.9 t -101.28 100.73 14.28 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.615 0.721 . . . . 0.0 110.906 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.469 ' HG3' ' CG1' ' A' ' 16' ' ' ILE . 54.4 Cg_endo -69.72 -5.15 15.49 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.687 2.258 . . . . 0.0 112.377 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.59 -57.93 3.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.797 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.5 p -125.02 12.43 8.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt 63.03 80.82 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.499 ' O ' ' ND2' ' A' ' 64' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.092 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.79 0.329 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.29 111.45 15.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -44.12 148.96 0.37 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.565 HD12 ' CE1' ' A' ' 43' ' ' HIS . 5.7 mt -104.22 -5.05 22.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.496 ' O ' ' CG1' ' A' ' 8' ' ' VAL . 0.3 OUTLIER 62.37 8.05 2.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 179.819 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.496 ' CG1' ' O ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER 172.35 162.34 0.26 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.631 0.729 . . . . 0.0 111.166 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 128.93 16.7 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.736 2.291 . . . . 0.0 112.277 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -90.94 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.649 2.233 . . . . 0.0 112.31 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.3 p30 175.57 41.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.503 ' O ' ' CB ' ' A' ' 13' ' ' ASP . 0.8 OUTLIER -112.97 -96.96 0.43 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.926 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 0.4 OUTLIER 159.81 145.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.48 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 48.7 t -70.88 141.1 51.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -96.6 -23.72 4.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.568 HG22 ' CE2' ' A' ' 27' ' ' TYR . 13.7 mt -79.64 -70.56 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.411 ' SG ' ' CB ' ' A' ' 19' ' ' GLU . 14.5 p -79.93 12.51 2.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' ' 17' ' ' CYS . 3.8 mtp 37.72 38.37 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.411 ' CB ' ' SG ' ' A' ' 17' ' ' CYS . 2.1 tp10 -116.14 150.7 37.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -47.87 138.95 8.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.468 ' HG ' ' CA ' ' A' ' 13' ' ' ASP . 6.2 mt -64.25 -12.74 44.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.56 -20.32 19.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.991 0.424 . . . . 0.0 110.869 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.9 p -83.47 22.37 1.06 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.089 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 56.8 -178.54 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.18 119.31 14.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.806 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -69.86 -21.42 76.66 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.568 ' CE2' HG22 ' A' ' 16' ' ' ILE . 7.4 m-30 -80.52 -10.74 59.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.929 0.395 . . . . 0.0 110.978 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.7 t -43.21 -27.61 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.849 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.2 -43.65 70.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.7 t -102.89 -46.0 10.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 31.0 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.15 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.563 ' N ' ' CD2' ' A' ' 36' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.87 0.366 . . . . 0.0 110.941 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.65 -14.19 27.27 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.481 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 63.83 23.39 13.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.884 0.373 . . . . 0.0 110.873 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -155.15 38.28 0.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.951 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -139.8 119.83 13.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.178 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -109.5 140.17 29.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.087 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -157.04 128.72 2.22 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.49 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.565 ' CE1' HD12 ' A' ' 6' ' ' LEU . 1.0 OUTLIER -75.42 143.47 42.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.858 0.361 . . . . 0.0 110.914 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 48' ' ' SER . 0.2 OUTLIER -80.99 103.6 10.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.854 -179.88 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 68.8 p -38.54 -35.39 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.444 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 5.9 mttm -51.1 -47.29 61.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.457 ' O ' ' CB ' ' A' ' 48' ' ' SER . 31.3 p -127.11 -46.86 1.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 44' ' ' LEU . 0.3 OUTLIER 79.62 73.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.825 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.573 ' HB2' ' CE2' ' A' ' 51' ' ' PHE . 31.0 m170 -114.73 -25.23 8.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.924 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.594 ' C ' ' CG ' ' A' ' 51' ' ' PHE . . . 83.74 133.06 0.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.706 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -173.8 173.54 3.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.48 ' CE1' ' HB2' ' A' ' 14' ' ' CYS . 28.8 m170 -82.69 97.32 8.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 52' ' ' HIS . 35.9 mt -36.25 -43.65 0.37 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.872 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.463 ' N ' HD12 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -57.9 -70.2 0.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.856 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.419 ' C ' HD11 ' A' ' 16' ' ' ILE . 63.3 m -43.97 -29.46 0.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.48 HD11 ' N ' ' A' ' 56' ' ' LEU . 8.7 mp -81.12 -38.7 26.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.965 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.7 tp -60.3 -10.58 4.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -93.0 -36.54 12.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.466 ' CE ' ' HB3' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -99.1 -8.52 25.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.566 ' CE1' ' HA ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -64.41 -25.82 68.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 -179.837 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.435 ' N ' ' CD2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -53.42 -15.56 1.09 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -97.51 -67.54 0.84 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 65' ' ' LYS . . . -77.71 176.01 54.0 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.456 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 38.94 -92.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.935 0.398 . . . . 0.0 110.841 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.566 ' HA ' ' CE1' ' A' ' 60' ' ' TYR . 0.5 OUTLIER 70.22 119.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 177.73 -32.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.862 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 143.67 40.65 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.462 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.442 ' HB3' ' CD1' ' A' ' 69' ' ' LEU . 58.5 m -157.3 -94.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.826 0.346 . . . . 0.0 110.84 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.544 ' C ' ' CD2' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -164.41 -172.07 2.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.989 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.466 ' HB3' ' CE ' ' A' ' 59' ' ' MET . 2.4 tt0 -144.1 148.25 34.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.942 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.446 ' N ' ' HG2' ' A' ' 70' ' ' GLN . 5.5 t -80.65 111.28 21.72 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.646 0.736 . . . . 0.0 110.879 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 -7.95 22.36 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.651 2.234 . . . . 0.0 112.346 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.31 -87.79 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 18.5 p -86.81 28.81 0.85 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt 45.65 33.66 1.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.436 HG21 ' CB ' ' A' ' 46' ' ' LYS . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.173 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.4 p . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.698 0.285 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -128.86 120.55 26.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.42 ' C ' HD22 ' A' ' 6' ' ' LEU . 2.9 tt0 -46.55 142.62 3.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.42 HD22 ' C ' ' A' ' 5' ' ' GLU . 4.9 mt -112.65 127.3 56.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.967 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? -65.1 -17.8 64.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -144.98 147.61 35.48 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.595 0.712 . . . . 0.0 111.178 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.8 125.23 11.88 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.695 2.263 . . . . 0.0 112.338 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.441 ' HG2' ' CD1' ' A' ' 21' ' ' LEU . 54.3 Cg_endo -69.71 -163.8 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.662 2.241 . . . . 0.0 112.357 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.465 ' OD1' ' N ' ' A' ' 11' ' ' ASP . 10.8 p-10 -119.73 90.89 3.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -170.82 -33.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.443 ' CA ' ' HG ' ' A' ' 21' ' ' LEU . 1.6 m-20 65.97 142.59 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.56 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 49.5 t -40.4 161.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.469 ' CG1' ' HG2' ' A' ' 72' ' ' PRO . 0.0 OUTLIER -119.18 -21.47 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.49 ' CG2' ' CE2' ' A' ' 27' ' ' TYR . 44.8 mt -76.73 -66.57 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.147 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 14.5 p -91.28 12.41 20.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 19.0 mmm 38.67 73.85 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -143.76 169.43 17.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.81 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.76 123.85 19.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.466 HD21 ' CA ' ' A' ' 51' ' ' PHE . 5.5 mt -61.13 -9.96 5.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 p -92.43 -41.38 10.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.426 ' CG2' ' N ' ' A' ' 24' ' ' ALA . 21.9 m -54.87 -89.86 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.177 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.426 ' N ' ' CG2' ' A' ' 23' ' ' THR . . . 172.7 158.43 0.11 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.107 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -42.15 146.42 0.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -87.32 -34.06 11.02 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.469 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.49 ' CE2' ' CG2' ' A' ' 16' ' ' ILE . 14.6 m-30 -78.77 1.74 22.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.903 0.382 . . . . 0.0 110.971 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.7 t -39.74 -29.35 0.06 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.839 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -48.06 -52.58 19.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.475 ' O ' ' CG1' ' A' ' 30' ' ' VAL . 13.7 p -176.8 90.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.132 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.464 HG22 ' CB ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.46 ' CD1' HD23 ' A' ' 57' ' ' LEU . 2.1 mt . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.848 0.356 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 40.38 27.56 0.16 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.486 ' O ' ' CB ' ' A' ' 39' ' ' LEU . 9.4 p 61.08 174.91 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.864 0.364 . . . . 0.0 110.897 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.486 ' CB ' ' O ' ' A' ' 38' ' ' SER . 0.3 OUTLIER 82.85 29.97 0.09 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.462 ' CB ' HD11 ' A' ' 53' ' ' LEU . . . -154.33 123.54 6.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.088 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.9 t -109.5 121.98 63.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -137.87 118.01 1.58 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.455 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.553 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 2.3 p-80 -78.62 140.06 38.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.831 0.348 . . . . 0.0 110.825 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -72.57 97.74 2.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.966 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 44' ' ' LEU . 80.3 p -35.48 -31.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 44' ' ' LEU . 18.4 tptt -49.68 -59.04 4.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.5 ' SG ' ' CD2' ' A' ' 49' ' ' HIS . 28.4 p -118.12 -33.59 4.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.07 79.16 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.841 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.603 ' HB2' ' CE1' ' A' ' 51' ' ' PHE . 26.4 m170 -116.17 -30.56 5.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.842 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.61 ' C ' ' CG ' ' A' ' 51' ' ' PHE . . . 84.31 138.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.137 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.61 ' CG ' ' C ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -169.98 -159.88 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 -179.881 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.56 ' CE1' ' HB2' ' A' ' 14' ' ' CYS . 39.0 m170 -108.44 102.33 11.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.462 HD11 ' CB ' ' A' ' 40' ' ' ALA . 28.2 mt -35.75 -65.66 0.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.525 ' C ' ' CD1' ' A' ' 54' ' ' LEU . 0.3 OUTLIER -44.26 -44.7 8.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.872 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.469 ' HB3' ' CD1' ' A' ' 16' ' ' ILE . 84.8 m -63.86 -50.4 68.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.573 HD13 ' CD2' ' A' ' 51' ' ' PHE . 14.4 mt -52.67 -43.44 65.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.46 HD23 ' CD1' ' A' ' 36' ' ' LEU . 8.2 tp -58.51 -11.05 2.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.452 ' CB ' HG21 ' A' ' 31' ' ' THR . . . -93.44 -35.18 13.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.064 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.46 ' CE ' ' HB3' ' A' ' 70' ' ' GLN . 1.8 ppp? -99.3 -8.42 24.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.566 ' CE1' ' HA ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -75.11 -15.48 60.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.984 -179.916 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 26.9 p -63.81 -11.29 25.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -97.43 -59.32 1.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 64' ' ' ASN . . . -113.97 -176.74 19.19 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.449 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.537 ' O ' ' CE1' ' A' ' 60' ' ' TYR . 5.5 m-20 34.39 56.66 0.67 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.903 0.383 . . . . 0.0 110.903 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.566 ' HA ' ' CE1' ' A' ' 60' ' ' TYR . 0.1 OUTLIER -86.05 31.5 0.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.43 -54.77 31.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 155.84 33.53 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.456 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.471 ' CB ' HD12 ' A' ' 69' ' ' LEU . 5.3 m -145.77 -71.95 0.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.812 0.339 . . . . 0.0 110.832 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.564 ' HA ' ' CD1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER 178.44 -172.58 0.13 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.492 ' OE1' ' ND2' ' A' ' 64' ' ' ASN . 4.1 tp60 -133.54 157.47 45.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 41.0 t -85.61 110.39 29.32 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.652 0.739 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.571 ' HD2' ' CD1' ' A' ' 51' ' ' PHE . 53.1 Cg_endo -69.83 -8.77 24.45 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.6 2.2 . . . . 0.0 112.349 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.405 ' HB3' ' ND1' ' A' ' 49' ' ' HIS . 9.5 t -82.62 -71.77 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.868 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.5 ' O ' ' N ' ' A' ' 76' ' ' THR . 18.4 p -111.39 38.48 2.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.944 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 74' ' ' CYS . 61.9 mmtt 34.64 32.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.818 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.5 ' N ' ' O ' ' A' ' 74' ' ' CYS . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.118 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.418 ' HB ' ' C ' ' A' ' 43' ' ' HIS . 0.5 OUTLIER . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.697 0.284 . . . . 0.0 111.161 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 5' ' ' GLU . 0.0 OUTLIER -139.15 121.39 15.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 4' ' ' GLU . 5.8 tt0 -35.04 141.18 0.07 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.885 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.0 mt -99.95 -10.6 21.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 64.7 5.97 3.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.463 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 4.4 p -170.4 138.8 1.38 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.626 0.727 . . . . 0.0 111.167 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.463 ' HD2' ' CG2' ' A' ' 8' ' ' VAL . 54.2 Cg_endo -69.75 110.32 2.52 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.686 2.257 . . . . 0.0 112.346 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 9' ' ' PRO . 53.9 Cg_endo -69.68 -165.52 0.15 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.763 2.309 . . . . 0.0 112.354 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.87 54.01 0.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.426 ' CB ' ' CB ' ' A' ' 50' ' ' ALA . 10.2 mm-40 -111.31 -37.12 5.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.849 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.401 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 7.9 t70 76.55 127.84 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.824 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.466 ' N ' ' HG ' ' A' ' 21' ' ' LEU . 11.4 t -55.58 165.55 0.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.471 ' CG1' ' HG2' ' A' ' 72' ' ' PRO . 0.0 OUTLIER -120.66 -9.93 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.116 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.427 HG22 ' CZ ' ' A' ' 27' ' ' TYR . 0.6 OUTLIER -88.08 -65.97 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.872 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 28.0 p -85.83 8.18 21.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 2.6 mmm 41.17 41.14 1.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -119.22 155.76 31.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.39 121.65 8.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.933 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.466 ' HG ' ' N ' ' A' ' 14' ' ' CYS . 5.9 mt -51.87 -16.67 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.877 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.452 ' HA ' ' CB ' ' A' ' 9' ' ' PRO . 18.9 t -75.63 -48.73 20.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 38.4 p -51.17 -89.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.111 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 175.4 179.34 0.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.08 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.1 t -71.91 110.59 6.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.96 -15.02 59.75 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.519 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.434 ' HB3' ' CG2' ' A' ' 31' ' ' THR . 3.5 m-30 -79.42 -14.85 58.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.925 0.393 . . . . 0.0 110.956 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.0 t -46.73 -24.23 0.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.849 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.73 -40.27 91.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.934 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.23 -57.53 4.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.434 ' CG2' ' HB3' ' A' ' 27' ' ' TYR . 73.2 p . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.446 ' CD1' ' HA ' ' A' ' 54' ' ' LEU . 71.2 mt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.809 0.338 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.422 ' O ' ' CB ' ' A' ' 38' ' ' SER . . . 122.09 -19.84 8.17 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.497 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 37' ' ' GLY . 1.4 p 78.07 20.91 0.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.936 0.398 . . . . 0.0 110.841 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -145.93 28.31 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.916 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.433 ' O ' ' CD1' ' A' ' 53' ' ' LEU . . . -121.95 102.33 8.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 179.746 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 38.6 t -96.9 137.51 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.184 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -163.04 116.94 0.74 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.467 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.426 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 0.3 OUTLIER -61.51 137.63 58.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.879 0.371 . . . . 0.0 110.851 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.26 103.28 2.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 31.7 p -41.99 -28.94 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.161 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.68 -68.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 48' ' ' SER . 26.6 p -96.76 -37.89 10.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.812 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 0.3 OUTLIER 82.96 67.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.821 -179.857 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.58 ' HB2' ' CZ ' ' A' ' 51' ' ' PHE . 25.3 m170 -114.36 -101.14 0.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.936 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.6 ' O ' ' CD1' ' A' ' 51' ' ' PHE . . . 159.18 131.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.601 ' CE1' ' SG ' ' A' ' 71' ' ' CYS . 0.0 OUTLIER -170.29 -172.29 1.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.879 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.444 ' O ' ' N ' ' A' ' 54' ' ' LEU . 23.4 m170 -98.59 101.92 13.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.822 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.433 ' CD1' ' O ' ' A' ' 40' ' ' ALA . 72.8 mt -35.99 -32.89 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.446 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -68.97 -61.26 1.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 34.8 m -51.48 -30.63 20.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.803 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.565 HD13 ' CD2' ' A' ' 51' ' ' PHE . 5.5 mt -73.07 -57.37 4.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.842 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.46 -20.6 0.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.404 ' N ' ' C ' ' A' ' 56' ' ' LEU . . . -81.14 -64.0 1.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.189 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.441 ' CE ' ' HB3' ' A' ' 70' ' ' GLN . 1.0 OUTLIER -72.04 -8.52 55.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 179.869 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.568 ' CD1' ' HA ' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -62.95 -18.47 63.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.853 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -9.35 4.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.411 ' OD1' ' C ' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -91.46 -51.88 5.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -137.34 -172.12 12.42 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.46 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 50.2 34.21 8.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.819 0.343 . . . . 0.0 110.858 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.512 ' HA ' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -79.96 102.1 9.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.879 179.923 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -159.81 -46.45 0.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 68' ' ' SER . . . 165.78 75.32 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.506 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 67' ' ' GLY . 2.3 t 160.87 -94.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.863 0.364 . . . . 0.0 110.891 -179.702 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.582 ' C ' ' CD2' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -174.21 -173.4 0.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.441 ' HB3' ' CE ' ' A' ' 59' ' ' MET . 66.5 tt0 -119.1 157.67 27.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.918 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.601 ' SG ' ' CE1' ' A' ' 51' ' ' PHE . 33.9 t -90.98 115.65 64.75 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.6 0.714 . . . . 0.0 110.864 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.471 ' HG2' ' CG1' ' A' ' 15' ' ' ILE . 54.2 Cg_endo -69.75 -14.4 36.06 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.365 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.427 ' HB3' ' ND1' ' A' ' 49' ' ' HIS . 8.7 t -78.0 -71.76 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.814 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 76' ' ' THR . 26.4 p -110.27 39.35 2.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 41.05 24.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 74' ' ' CYS . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.142 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.786 0.327 . . . . 0.0 111.114 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 5' ' ' GLU . 0.4 OUTLIER -122.66 115.87 22.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.2 OUTLIER -36.31 145.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 8' ' ' VAL . 8.1 mt -113.29 117.64 32.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.73 -23.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -150.74 148.87 24.33 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.591 0.71 . . . . 0.0 111.152 179.846 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 127.5 14.68 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.633 2.222 . . . . 0.0 112.363 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.443 ' HG2' ' CD1' ' A' ' 21' ' ' LEU . 53.8 Cg_endo -69.72 -163.9 0.12 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.729 2.286 . . . . 0.0 112.34 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -125.98 49.89 1.92 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.919 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -103.09 -28.21 12.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 75.13 127.37 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.814 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 51.4 t -52.14 144.55 12.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -101.38 -18.8 6.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.161 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.455 HG22 ' CZ ' ' A' ' 27' ' ' TYR . 0.8 OUTLIER -77.89 -70.49 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.128 179.87 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.4 p -79.28 -1.79 38.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 8.6 mtp 56.37 39.8 29.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -117.36 171.97 7.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.844 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.44 ' CD ' ' N ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -65.67 139.5 58.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.959 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.443 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 7.4 mt -71.25 0.5 7.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 p -109.49 -0.13 19.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.4 m -111.22 34.02 4.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.197 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 53.51 -179.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.08 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.417 ' HA ' ' ND1' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -74.7 142.29 44.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.83 -179.787 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -85.91 -18.4 59.73 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.501 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.455 ' CZ ' HG22 ' A' ' 16' ' ' ILE . 8.4 m-30 -82.54 -13.38 56.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.813 0.34 . . . . 0.0 110.924 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.457 ' HB2' ' CB ' ' A' ' 38' ' ' SER . 0.1 OUTLIER -36.85 -39.82 0.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.819 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -60.5 -48.41 81.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.847 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 27' ' ' TYR . 95.4 t -83.06 -71.91 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.4 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.151 179.984 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.554 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.81 0.338 . . . . 0.0 110.914 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.47 13.29 10.8 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.43 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.457 ' CB ' ' HB2' ' A' ' 28' ' ' SER . 2.0 t 65.05 46.23 2.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.952 0.406 . . . . 0.0 110.824 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -165.95 48.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.957 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -155.22 122.62 5.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.08 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.5 t -114.18 129.84 69.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.091 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -160.44 121.55 1.04 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.57 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 40.8 p-80 -67.76 147.19 52.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.877 0.37 . . . . 0.0 110.806 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -76.14 97.13 4.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.956 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 44' ' ' LEU . 50.3 p -34.53 -32.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.154 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 44' ' ' LEU . 8.4 tptt -47.71 -63.94 0.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.485 ' O ' ' CB ' ' A' ' 48' ' ' SER . 17.8 p -106.11 -34.1 7.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 3.0 t 82.7 64.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.515 ' O ' ' CB ' ' A' ' 50' ' ' ALA . 26.3 m170 -109.1 -100.35 0.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.603 ' C ' ' CG ' ' A' ' 51' ' ' PHE . . . 159.59 135.61 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.603 ' CG ' ' C ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -176.64 168.72 2.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.567 ' CE1' ' HB2' ' A' ' 14' ' ' CYS . 31.3 m170 -80.57 100.7 8.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.82 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 52' ' ' HIS . 42.7 mt -36.23 -30.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.504 ' C ' ' CD1' ' A' ' 54' ' ' LEU . 0.3 OUTLIER -74.19 -66.68 0.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.909 179.881 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 99.3 m -45.76 -33.66 3.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.512 HD12 ' CG ' ' A' ' 51' ' ' PHE . 17.0 mt -72.73 -55.92 6.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.467 ' CD1' HD21 ' A' ' 36' ' ' LEU . 2.5 tt -41.72 -23.91 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.965 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 56' ' ' LEU . . . -70.94 -65.98 0.67 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.07 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.405 ' CE ' ' HB3' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -76.0 -8.46 57.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.585 ' CD2' ' N ' ' A' ' 61' ' ' CYS . 0.0 OUTLIER -61.22 -29.81 70.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.883 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.585 ' N ' ' CD2' ' A' ' 60' ' ' TYR . 1.0 OUTLIER -57.28 -13.87 3.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -80.16 -51.48 8.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 64' ' ' ASN . . . -145.43 174.02 25.6 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.416 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.445 ' HB2' ' NE2' ' A' ' 70' ' ' GLN . 55.1 t30 38.04 50.82 1.39 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.915 0.388 . . . . 0.0 110.907 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.572 ' HA ' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -116.06 97.47 6.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -125.62 -13.12 6.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.816 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 147.87 44.18 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.498 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.42 ' C ' HD13 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -165.59 -86.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.901 0.382 . . . . 0.0 110.881 -179.708 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.565 ' C ' ' CD2' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -177.73 -173.37 0.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.445 ' NE2' ' HB2' ' A' ' 64' ' ' ASN . 4.4 tp60 -129.05 156.01 44.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.979 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 15.9 t -91.33 107.58 22.59 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.605 0.717 . . . . 0.0 110.834 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 3.09 2.99 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.737 2.291 . . . . 0.0 112.314 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.94 -84.08 0.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 75' ' ' LYS . 14.5 p -97.39 29.86 3.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 74' ' ' CYS . 10.7 mmtm 33.98 42.38 0.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.443 ' O ' ' CG2' ' A' ' 76' ' ' THR . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.782 0.325 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 5' ' ' GLU . 62.3 tt0 -94.12 105.43 17.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 4' ' ' GLU . 8.5 tt0 -35.05 133.0 0.32 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.3 OUTLIER -88.72 104.2 16.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 6' ' ' LEU . 0.3 OUTLIER -34.21 -34.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.958 179.816 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.474 ' N ' ' O ' ' A' ' 6' ' ' LEU . 19.6 m -129.8 152.5 79.96 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.622 0.725 . . . . 0.0 111.147 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.71 140.03 41.86 Favored 'Trans proline' 0 N--CA 1.464 -0.219 0 C-N-CA 122.718 2.279 . . . . 0.0 112.378 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.498 ' O ' ' CB ' ' A' ' 11' ' ' ASP . 53.3 Cg_endo -69.8 -34.55 14.22 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.691 2.26 . . . . 0.0 112.379 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER 82.84 38.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.887 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.448 ' O ' ' CB ' ' A' ' 13' ' ' ASP . 1.5 mm-40 -103.67 -94.65 0.32 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.916 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.448 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 0.3 OUTLIER 163.5 116.73 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.478 ' N ' ' O ' ' A' ' 19' ' ' GLU . 36.4 t -37.77 156.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.71 -20.51 6.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.094 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.453 ' CD1' ' HG3' ' A' ' 72' ' ' PRO . 0.4 OUTLIER -80.29 -70.12 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.077 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 18' ' ' MET . 14.7 p -85.0 18.73 2.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.441 ' C ' ' O ' ' A' ' 17' ' ' CYS . 0.8 OUTLIER 35.32 71.17 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 14' ' ' CYS . 25.3 mm-40 -145.8 -176.84 5.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.8 mttp -77.28 132.53 38.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.936 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.405 ' HA ' ' NE2' ' A' ' 52' ' ' HIS . 7.7 mt -69.15 -4.23 16.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.876 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.48 -12.84 19.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.463 ' CG2' ' N ' ' A' ' 24' ' ' ALA . 18.5 m -83.07 -91.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.117 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.463 ' N ' ' CG2' ' A' ' 23' ' ' THR . . . -175.77 169.08 3.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.105 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.467 ' CB ' ' HB3' ' A' ' 54' ' ' LEU . 0.1 OUTLIER -70.68 128.19 35.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.82 -179.71 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.15 -33.88 84.5 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.528 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.485 ' O ' ' N ' ' A' ' 29' ' ' ASP . 7.3 m-85 -67.82 -21.59 65.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.859 0.361 . . . . 0.0 110.921 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.1 p -39.23 -25.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.815 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.493 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -46.62 -64.46 0.76 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.493 ' CG2' ' O ' ' A' ' 29' ' ' ASP . 3.4 t -167.92 90.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.132 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.097 -179.952 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.55 ' N ' ' CD2' ' A' ' 36' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.833 0.349 . . . . 0.0 110.886 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 36' ' ' LEU . . . -37.04 146.38 0.08 OUTLIER Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.428 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.28 11.49 9.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.911 0.386 . . . . 0.0 110.816 -179.743 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.61 1.73 4.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.989 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.499 ' O ' ' CD1' ' A' ' 53' ' ' LEU . . . -71.56 66.79 0.51 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.114 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.3 t -46.07 118.42 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -127.98 129.34 6.31 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.543 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.549 ' CG ' ' O ' ' A' ' 43' ' ' HIS . 2.8 p80 -103.56 117.39 34.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.834 0.349 . . . . 0.0 110.877 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 mt -58.7 119.49 7.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 56.3 p -72.51 2.55 6.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.164 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.12 -43.57 16.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.593 ' SG ' ' CD2' ' A' ' 49' ' ' HIS . 6.7 p -124.42 -16.93 6.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.481 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 0.3 OUTLIER 83.29 42.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.841 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.593 ' CD2' ' SG ' ' A' ' 47' ' ' CYS . 9.0 m170 -109.88 129.06 55.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.6 ' C ' ' CG ' ' A' ' 51' ' ' PHE . . . -97.67 160.16 14.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.088 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.66 ' CD2' ' N ' ' A' ' 51' ' ' PHE . 0.0 OUTLIER 173.04 175.54 0.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.923 -179.927 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.454 ' CE1' ' HB2' ' A' ' 14' ' ' CYS . 35.8 m170 -68.08 102.18 1.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.499 ' CD1' ' O ' ' A' ' 40' ' ' ALA . 5.7 mt -36.28 -70.14 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.468 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -37.8 -63.16 0.49 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.872 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.417 ' C ' HD12 ' A' ' 16' ' ' ILE . 98.7 m -43.22 -51.48 6.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.591 ' CD1' ' CD2' ' A' ' 51' ' ' PHE . 13.8 mt -54.34 -59.2 4.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.458 ' CD1' ' O ' ' A' ' 68' ' ' SER . 5.8 tp -44.5 -46.0 9.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.957 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.409 ' CB ' ' CD2' ' A' ' 27' ' ' TYR . . . -59.01 -61.08 2.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.092 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -70.92 -8.67 54.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.833 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.646 ' C ' ' CD2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -64.49 -14.85 59.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.923 -179.861 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.431 ' N ' ' CD2' ' A' ' 60' ' ' TYR . 0.5 OUTLIER -69.13 -9.38 52.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -93.28 -53.83 3.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 65' ' ' LYS . . . -115.94 -168.03 15.14 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.51 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.453 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 3.1 m120 44.35 -90.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.851 0.358 . . . . 0.0 110.921 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.566 ' HA ' ' CE1' ' A' ' 60' ' ' TYR . 0.1 OUTLIER 58.31 25.84 13.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.892 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.449 ' C ' ' OD2' ' A' ' 66' ' ' ASP . 0.9 OUTLIER -72.48 -36.55 68.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 179.897 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 145.26 40.8 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.532 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.458 ' O ' ' CD1' ' A' ' 57' ' ' LEU . 0.3 OUTLIER -166.53 -67.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.978 0.418 . . . . 0.0 110.876 -179.714 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.549 ' C ' ' CD2' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -171.63 -173.71 1.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.93 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.453 ' HG3' ' N ' ' A' ' 64' ' ' ASN . 4.9 tt0 -134.24 151.26 51.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 12.1 t -97.43 102.92 14.0 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.61 0.719 . . . . 0.0 110.865 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.453 ' HG3' ' CD1' ' A' ' 16' ' ' ILE . 53.3 Cg_endo -69.8 -11.0 29.9 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.671 2.247 . . . . 0.0 112.335 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.01 -65.57 0.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.832 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.5 p -116.43 23.04 12.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.8 mttt 45.94 50.14 11.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.124 -179.972 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.46 HG22 ' CD1' ' A' ' 69' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.67 0.271 . . . . 0.0 111.202 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 5' ' ' GLU . 0.1 OUTLIER -128.36 110.99 12.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.969 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 4' ' ' GLU . 6.6 tt0 -35.05 143.52 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.838 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 8' ' ' VAL . 18.0 mt -94.06 115.37 27.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.965 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 6' ' ' LEU . 4.0 mmtp -38.31 -26.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.911 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.501 ' N ' ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -148.54 158.85 39.86 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.577 0.703 . . . . 0.0 111.116 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 131.49 21.22 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.645 2.23 . . . . 0.0 112.338 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -163.76 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.63 2.22 . . . . 0.0 112.313 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -143.39 49.22 1.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.515 ' O ' ' CB ' ' A' ' 13' ' ' ASP . 57.6 mm-40 -115.61 -96.25 0.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER 160.23 136.14 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.845 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 53.0 t -47.79 162.79 0.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -114.99 -27.34 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.145 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.465 HD11 ' N ' ' A' ' 56' ' ' LEU . 8.3 mt -81.66 -68.48 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.179 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.497 ' SG ' ' CG ' ' A' ' 19' ' ' GLU . 18.3 p -73.36 -11.67 60.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.3 29.99 17.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.497 ' CG ' ' SG ' ' A' ' 17' ' ' CYS . 7.9 mm-40 -110.05 160.25 16.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.896 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.64 138.67 22.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.409 ' HG ' ' C ' ' A' ' 13' ' ' ASP . 10.5 mt -66.21 -11.88 52.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.843 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.06 -17.68 16.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.8 m -84.13 29.6 0.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.105 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.431 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . 51.15 176.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.059 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.7 t -68.25 147.22 52.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -83.79 -21.83 56.89 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.51 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.426 ' O ' ' N ' ' A' ' 29' ' ' ASP . 21.3 m-85 -94.48 4.83 53.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.9 0.381 . . . . 0.0 110.929 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -42.66 -23.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 27' ' ' TYR . 0.3 OUTLIER -101.27 -38.0 8.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.824 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.99 -67.22 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 10.8 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.175 -180.0 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.43 ' CD1' HD13 ' A' ' 57' ' ' LEU . 18.6 mt . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.781 0.324 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.79 11.51 84.53 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.516 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.9 p 37.45 78.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.913 0.387 . . . . 0.0 110.869 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.4 tp 177.22 -28.76 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.851 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -80.47 108.12 13.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.9 t -74.76 120.19 23.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.403 ' N ' ' HG ' ' A' ' 53' ' ' LEU . . . -123.56 132.74 8.6 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.431 ' CG ' ' O ' ' A' ' 43' ' ' HIS . 1.9 p80 -106.53 123.59 48.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.795 0.331 . . . . 0.0 110.877 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.528 ' CD1' ' CD2' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -63.01 95.06 0.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -38.7 -25.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.145 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 44' ' ' LEU . 1.7 tptp -53.38 -51.61 61.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 18.7 p -120.47 -34.86 3.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.8 m 74.41 74.55 0.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.413 ' ND1' ' HB3' ' A' ' 73' ' ' SER . 29.4 m170 -115.66 -25.98 7.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.601 ' C ' ' CG ' ' A' ' 51' ' ' PHE . . . 71.2 143.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.075 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.665 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -178.99 -169.08 0.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.511 ' O ' ' N ' ' A' ' 54' ' ' LEU . 43.2 m170 -86.29 95.21 9.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 52' ' ' HIS . 10.0 mt -35.3 -30.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.931 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.551 ' C ' ' CD1' ' A' ' 54' ' ' LEU . 0.3 OUTLIER -69.27 -61.66 1.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.955 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 96.7 m -49.87 -62.84 1.34 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 60' ' ' TYR . 0.2 OUTLIER -40.21 -52.08 2.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.43 HD13 ' CD1' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -45.04 -56.65 4.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.977 179.849 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.54 -55.56 33.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.139 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.408 ' HE3' ' C ' ' A' ' 59' ' ' MET . 0.1 OUTLIER -63.89 -16.33 61.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.631 ' C ' ' CD1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -70.65 -14.43 62.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.918 -179.882 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 31.2 p -60.01 -9.87 3.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -90.55 -46.63 8.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 60' ' ' TYR . . . -142.29 -174.47 14.89 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.521 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.474 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 3.4 t-20 48.1 53.66 11.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.92 0.391 . . . . 0.0 110.861 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.568 ' HA ' ' CE2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -94.15 106.7 18.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.891 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -164.07 -37.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 151.91 73.99 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.491 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 168.65 -92.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.955 0.407 . . . . 0.0 110.894 -179.697 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.564 ' C ' ' CD2' ' A' ' 69' ' ' LEU . 0.0 OUTLIER 178.11 -173.34 0.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.922 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.475 ' N ' ' HB2' ' A' ' 60' ' ' TYR . 9.2 tp60 -130.25 143.29 50.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.455 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 6.4 t -76.35 111.45 15.55 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.626 0.727 . . . . 0.0 110.938 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.414 ' HG3' ' CD1' ' A' ' 56' ' ' LEU . 52.9 Cg_endo -69.76 -7.74 21.82 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.668 2.246 . . . . 0.0 112.32 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.413 ' HB3' ' ND1' ' A' ' 49' ' ' HIS . 0.4 OUTLIER -82.13 -82.56 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.858 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 75' ' ' LYS . 20.2 p -99.85 34.14 2.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.856 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 74' ' ' CYS . 0.0 OUTLIER 37.0 43.56 0.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.911 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.433 HG21 ' CG ' ' A' ' 46' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.129 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.449 ' OG1' ' N ' ' A' ' 4' ' ' GLU . 0.5 OUTLIER . . . . . 0 N--CA 1.456 -0.135 0 CA-C-O 120.786 0.327 . . . . 0.0 111.148 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.449 ' N ' ' OG1' ' A' ' 3' ' ' THR . 6.1 tt0 -111.3 119.41 38.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.871 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 4' ' ' GLU . 6.3 tt0 -34.97 133.57 0.28 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.952 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.508 ' O ' ' CB ' ' A' ' 7' ' ' LYS . 3.1 mt -82.57 -25.85 32.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.98 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.508 ' CB ' ' O ' ' A' ' 6' ' ' LEU . 4.3 tttt 83.43 -34.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.45 HG13 ' N ' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -132.82 144.34 52.46 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.708 0.766 . . . . 0.0 111.125 179.8 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.45 ' N ' HG13 ' A' ' 8' ' ' VAL . 54.0 Cg_endo -69.82 110.32 2.54 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 122.606 2.204 . . . . 0.0 112.382 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -164.72 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.673 2.249 . . . . 0.0 112.321 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -105.14 32.61 4.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -98.25 -38.18 9.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 61.55 130.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.836 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.508 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 46.1 t -44.15 160.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.856 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -119.86 -20.26 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.561 HG22 ' CE1' ' A' ' 27' ' ' TYR . 0.9 OUTLIER -76.56 -66.25 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.153 179.857 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.4 p -81.3 -3.61 53.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.829 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 54.38 53.08 11.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -133.34 -177.74 4.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.821 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -76.17 132.31 39.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.2 mt -60.18 -10.05 4.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 83.3 p -86.81 -45.4 10.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.432 ' CG2' ' N ' ' A' ' 24' ' ' ALA . 20.0 m -51.3 -89.58 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.432 ' N ' ' CG2' ' A' ' 23' ' ' THR . . . 170.21 164.91 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.132 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.84 126.27 19.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -71.7 -27.62 70.63 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.49 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.561 ' CE1' HG22 ' A' ' 16' ' ' ILE . 13.7 m-30 -83.92 -0.34 50.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.874 0.369 . . . . 0.0 110.915 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.2 t -57.74 -12.32 2.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -82.35 -22.32 35.58 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.856 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.6 p -123.37 -8.39 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.19 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 42.4 p . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.086 -179.918 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.47 ' CD2' ' CB ' ' A' ' 53' ' ' LEU . 1.4 mt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.814 0.34 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.99 12.95 51.15 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.454 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.9 t 61.7 59.77 1.73 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.91 0.386 . . . . 0.0 110.903 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -177.65 57.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.934 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -149.55 105.28 3.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.134 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 32.6 t -102.46 123.14 55.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -151.43 135.82 5.25 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.5 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.449 ' O ' ' C ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -89.75 103.82 16.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.838 0.351 . . . . 0.0 110.839 -179.883 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.457 HD12 ' CG2' ' A' ' 76' ' ' THR . 0.2 OUTLIER -33.59 120.38 0.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.885 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.3 p -64.06 -10.65 23.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.5 mtmm -73.45 -68.26 0.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.469 ' SG ' ' CD2' ' A' ' 49' ' ' HIS . 26.4 p -96.42 -16.35 21.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER 60.39 70.66 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.819 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.574 ' HB2' ' CZ ' ' A' ' 51' ' ' PHE . 20.8 m170 -115.79 -101.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.844 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.618 ' C ' ' CG ' ' A' ' 51' ' ' PHE . . . 158.32 133.18 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.023 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.618 ' CG ' ' C ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -178.99 178.04 0.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.508 ' CE1' ' HB2' ' A' ' 14' ' ' CYS . 22.9 m170 -88.02 103.51 15.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.47 ' CB ' ' CD2' ' A' ' 36' ' ' LEU . 24.3 mt -36.3 -29.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 52' ' ' HIS . 0.4 OUTLIER -78.11 -68.47 0.63 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.915 179.896 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 54' ' ' LEU . 57.6 m -35.61 -38.31 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.815 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.595 ' N ' ' CD1' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -72.72 -51.48 19.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.46 ' CD2' ' O ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -39.59 -25.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.91 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 56' ' ' LEU . . . -77.02 -65.46 0.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.492 ' SD ' ' CD1' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -68.97 -8.62 46.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.872 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.519 ' CZ ' ' HG3' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -64.11 -21.47 66.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 -179.792 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.05 -9.41 4.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -90.8 -54.06 4.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -135.62 -167.54 11.33 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.519 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.488 ' ND2' ' C ' ' A' ' 76' ' ' THR . 11.5 t-20 38.77 36.19 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.846 0.355 . . . . 0.0 110.905 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.519 ' HG3' ' CZ ' ' A' ' 60' ' ' TYR . 0.8 OUTLIER -85.64 77.35 9.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.906 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -114.38 -36.7 4.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 156.84 33.46 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.527 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.46 ' O ' ' CD2' ' A' ' 57' ' ' LEU . 66.1 m -155.06 -87.3 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.848 0.356 . . . . 0.0 110.905 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.518 ' HA ' ' CD1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -166.88 -173.34 2.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.481 ' O ' ' CE ' ' A' ' 59' ' ' MET . 66.4 tt0 -123.69 157.63 33.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 14.8 t -100.81 115.47 65.28 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.61 0.719 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -10.65 29.07 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.622 2.214 . . . . 0.0 112.369 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.13 -77.87 0.21 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.825 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 76' ' ' THR . 26.2 p -104.48 38.3 1.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.589 ' CD ' ' N ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER 37.74 31.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.828 179.91 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.488 ' C ' ' ND2' ' A' ' 64' ' ' ASN . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.139 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.491 ' O ' ' N ' ' A' ' 5' ' ' GLU . 2.6 p . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.77 0.319 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 4' ' ' GLU . 0.6 OUTLIER -34.37 93.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 3' ' ' THR . 9.6 tt0 -58.79 158.02 8.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 8' ' ' VAL . 14.3 mt -118.36 122.48 42.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -34.29 -35.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 179.814 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 6' ' ' LEU . 1.4 m -148.04 157.13 43.58 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.625 0.726 . . . . 0.0 111.127 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 125.77 12.5 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.697 2.265 . . . . 0.0 112.258 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -163.87 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.699 2.266 . . . . 0.0 112.374 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -116.26 32.19 6.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -88.54 -25.12 22.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.7 t70 65.4 128.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.462 ' N ' ' HG ' ' A' ' 21' ' ' LEU . 46.1 t -41.58 163.92 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.832 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -113.83 -24.55 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.139 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.414 ' CG1' ' HB3' ' A' ' 55' ' ' CYS . 0.6 OUTLIER -76.13 -70.1 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.843 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 18' ' ' MET . 30.0 p -82.07 15.28 2.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.43 ' C ' ' O ' ' A' ' 17' ' ' CYS . 6.5 mtp 35.58 51.69 0.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -130.94 165.27 23.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -56.24 136.72 52.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.462 ' HG ' ' N ' ' A' ' 14' ' ' CYS . 13.7 mt -68.78 -2.0 8.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.925 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -113.68 12.53 18.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.2 p -116.92 26.87 9.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.101 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 60.07 170.75 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.412 ' HA ' ' ND1' ' A' ' 52' ' ' HIS . 2.9 t -71.6 144.9 49.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.887 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -82.56 -26.15 47.8 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.513 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.3 m-30 -82.99 4.66 25.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.879 0.371 . . . . 0.0 110.916 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 91.4 p -60.63 -10.24 4.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.899 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -86.1 -11.46 52.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -129.35 -53.47 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.144 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 27.0 p . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 -179.943 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.435 ' CD1' ' O ' ' A' ' 53' ' ' LEU . 44.6 mt . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.855 0.36 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 141.92 -20.86 2.5 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.484 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.405 ' CB ' HD23 ' A' ' 54' ' ' LEU . 43.1 t 63.61 20.34 12.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.896 0.379 . . . . 0.0 110.87 -179.716 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -153.25 23.13 0.55 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.427 ' CB ' HD12 ' A' ' 53' ' ' LEU . . . -110.59 139.47 45.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.4 t -119.03 124.14 72.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.16 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.404 ' C ' ' OG1' ' A' ' 3' ' ' THR . . . -157.66 140.95 7.4 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.54 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.598 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 0.3 OUTLIER -94.24 115.44 27.69 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.741 0.305 . . . . 0.0 110.914 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.475 ' HA ' ' CG2' ' A' ' 3' ' ' THR . 1.2 mt -36.49 139.35 0.18 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.858 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 p -82.58 37.49 0.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.46 -57.22 1.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.59 ' SG ' ' CD2' ' A' ' 49' ' ' HIS . 6.6 p -110.67 -16.51 13.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 1.5 m 83.04 26.43 0.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.606 ' O ' ' CZ ' ' A' ' 51' ' ' PHE . 12.1 m170 -89.46 126.33 35.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.578 ' C ' ' CG ' ' A' ' 51' ' ' PHE . . . -89.6 160.91 16.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.146 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.606 ' CZ ' ' O ' ' A' ' 49' ' ' HIS . 0.0 OUTLIER 170.38 -170.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 -179.908 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.502 ' O ' ' N ' ' A' ' 54' ' ' LEU . 36.5 m170 -87.52 97.68 10.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.907 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.435 ' O ' ' CD1' ' A' ' 36' ' ' LEU . 38.4 mt -35.93 -30.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.939 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.54 ' C ' ' CD1' ' A' ' 54' ' ' LEU . 0.3 OUTLIER -69.9 -58.85 3.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 179.918 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.414 ' HB3' ' CG1' ' A' ' 16' ' ' ILE . 75.0 m -49.45 -47.46 48.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.845 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.579 HD23 ' CE2' ' A' ' 51' ' ' PHE . 5.6 mp -55.66 -57.77 10.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 15.8 tp -45.68 -26.87 0.69 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.991 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.52 -66.56 0.57 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.059 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.507 ' CE ' ' O ' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -74.13 -8.38 55.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.54 ' CD1' ' HA ' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -56.13 -28.69 58.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.004 -179.882 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.475 ' N ' ' CD2' ' A' ' 60' ' ' TYR . 0.1 OUTLIER -60.64 -9.36 3.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.911 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 -83.59 -49.57 9.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.485 ' N ' ' OE1' ' A' ' 70' ' ' GLN . . . -138.25 -172.03 12.4 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.491 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.455 ' ND2' ' HA ' ' A' ' 70' ' ' GLN . 3.1 m-20 63.28 -74.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.939 0.399 . . . . 0.0 110.895 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.51 ' HA ' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER 41.79 82.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -151.09 59.13 0.91 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 45.36 51.24 9.53 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.447 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 58.7 m -168.71 -96.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.863 0.363 . . . . 0.0 110.814 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.54 ' HA ' ' CD1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -172.55 -174.05 1.12 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.951 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.507 ' O ' ' CE ' ' A' ' 59' ' ' MET . 52.7 tt0 -129.18 158.0 40.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.949 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.407 ' HB3' ' C ' ' A' ' 76' ' ' THR . 4.9 t -88.96 111.47 44.94 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.653 0.739 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.569 ' HD2' ' CE1' ' A' ' 51' ' ' PHE . 53.9 Cg_endo -69.73 -16.53 37.71 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.638 2.225 . . . . 0.0 112.369 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.73 -81.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.89 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 19.2 p -99.37 29.71 3.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt 48.21 45.97 19.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.407 ' C ' ' HB3' ' A' ' 71' ' ' CYS . 2.5 m . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.423 ' OG1' ' N ' ' A' ' 4' ' ' GLU . 0.5 OUTLIER . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.728 0.299 . . . . 0.0 111.11 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 5' ' ' GLU . 0.5 OUTLIER -112.58 111.32 22.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 4' ' ' GLU . 22.9 tt0 -35.15 137.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.826 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.458 ' O ' ' CB ' ' A' ' 7' ' ' LYS . 16.9 mt -86.63 -24.81 25.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.458 ' CB ' ' O ' ' A' ' 6' ' ' LEU . 5.6 tttt 81.38 -14.61 0.8 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.5 m -144.37 145.85 30.72 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.638 0.732 . . . . 0.0 111.088 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.404 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 54.4 Cg_endo -69.74 110.38 2.54 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.578 2.185 . . . . 0.0 112.37 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 9' ' ' PRO . 53.8 Cg_endo -69.77 -163.83 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.685 2.257 . . . . 0.0 112.327 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -119.81 63.66 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.462 ' HB2' ' CD1' ' A' ' 21' ' ' LEU . 5.3 mm-40 -121.88 -25.43 5.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 65.38 123.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.566 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 42.6 t -46.02 153.03 0.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -111.09 -19.04 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.07 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.544 HG21 ' CE2' ' A' ' 27' ' ' TYR . 1.0 OUTLIER -77.73 -67.24 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.15 179.841 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.3 p -81.97 -6.66 59.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.67 43.64 15.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.959 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -122.93 159.32 28.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.973 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.88 135.96 35.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.462 ' CD1' ' HB2' ' A' ' 12' ' ' GLU . 7.2 mt -68.53 -7.35 31.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.46 -47.57 13.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.878 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.7 p -55.64 -89.64 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.129 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 171.78 177.56 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.1 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.64 135.01 56.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -83.14 -20.35 60.95 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.497 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.544 ' CE2' HG21 ' A' ' 16' ' ' ILE . 10.5 m-30 -90.71 1.68 56.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.875 0.369 . . . . 0.0 110.835 -179.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.5 t -52.72 -18.09 1.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.848 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.99 -36.59 81.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.1 p -165.69 86.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.123 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.035 0 CA-C-O 120.852 0.358 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -91.32 19.96 43.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.7 p 60.92 50.23 5.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.887 0.375 . . . . 0.0 110.857 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.404 ' CG ' ' O ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -164.15 49.97 0.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -149.96 151.77 33.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -139.83 135.11 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -151.64 122.89 1.4 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.488 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.442 ' O ' ' C ' ' A' ' 44' ' ' LEU . 7.8 m170 -81.22 100.16 8.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.784 0.326 . . . . 0.0 110.821 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 48' ' ' SER . 2.3 tp -34.27 118.62 0.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.919 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 41.0 p -58.79 -26.17 63.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.192 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.87 -64.73 0.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.519 ' SG ' ' CD2' ' A' ' 49' ' ' HIS . 32.1 p -100.38 -36.68 9.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 44' ' ' LEU . 1.5 t 81.89 68.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 51' ' ' PHE . 26.6 m170 -115.59 -103.33 0.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.594 ' O ' ' CD2' ' A' ' 51' ' ' PHE . . . 158.98 134.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.594 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -174.53 168.31 3.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.566 ' CE1' ' HB2' ' A' ' 14' ' ' CYS . 34.1 m170 -76.27 100.44 5.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.841 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 52' ' ' HIS . 26.6 mt -36.14 -30.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.96 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 52' ' ' HIS . 0.6 OUTLIER -73.48 -70.16 0.39 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.976 179.887 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 89.1 m -42.37 -29.12 0.24 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.559 HD13 ' CD1' ' A' ' 51' ' ' PHE . 7.0 mt -76.38 -49.19 17.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.468 ' CD2' ' O ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -44.25 -21.67 0.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.894 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 56' ' ' LEU . . . -77.92 -66.92 0.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.048 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.467 ' CE ' ' HB3' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -60.61 -38.22 83.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.577 ' C ' ' CD1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -43.52 -22.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 -179.857 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.533 ' N ' ' CD1' ' A' ' 60' ' ' TYR . 24.3 p -48.45 -29.65 4.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.947 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -97.64 -70.38 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.837 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.516 ' O ' ' N ' ' A' ' 65' ' ' LYS . . . -67.87 174.91 28.25 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.465 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.493 ' ND2' ' OE1' ' A' ' 70' ' ' GLN . 27.3 m-20 34.23 -92.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.871 0.367 . . . . 0.0 110.887 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.568 ' HA ' ' CE2' ' A' ' 60' ' ' TYR . 10.3 tttp 52.32 71.89 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.47 3.93 2.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.433 ' O ' ' CB ' ' A' ' 68' ' ' SER . . . 122.79 63.56 0.21 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.539 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.468 ' O ' ' CD2' ' A' ' 57' ' ' LEU . 0.5 OUTLIER 165.66 -83.63 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.848 0.356 . . . . 0.0 110.857 -179.717 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.576 ' HA ' ' CD2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER 177.46 -172.4 0.11 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.493 ' OE1' ' ND2' ' A' ' 64' ' ' ASN . 4.4 tp60 -127.01 157.7 38.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.429 ' SG ' ' CE2' ' A' ' 51' ' ' PHE . 6.0 t -91.81 112.12 53.03 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.619 0.723 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.456 ' HD2' ' CD2' ' A' ' 51' ' ' PHE . 53.8 Cg_endo -69.75 -8.23 23.08 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.659 2.239 . . . . 0.0 112.393 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.28 -81.84 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 76' ' ' THR . 21.2 p -100.38 33.88 2.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.882 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 74' ' ' CYS . 0.8 OUTLIER 37.19 31.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.459 HG22 ' CD2' ' A' ' 44' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.134 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.472 ' CG2' HD22 ' A' ' 44' ' ' LEU . 19.1 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.767 0.318 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -116.79 109.9 17.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -47.38 157.69 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 8' ' ' VAL . 1.8 mt -130.56 106.5 8.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 6' ' ' LEU . 15.9 mttt -37.32 -28.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' A' ' 6' ' ' LEU . 3.8 m -137.36 144.25 44.69 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.56 0.695 . . . . 0.0 111.173 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 126.32 13.18 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.739 2.293 . . . . 0.0 112.304 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.464 ' HG2' ' CD1' ' A' ' 21' ' ' LEU . 53.8 Cg_endo -69.81 -163.87 0.12 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.718 2.279 . . . . 0.0 112.336 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -116.52 60.28 0.73 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -121.38 -21.56 6.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 65.21 131.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.8 t -50.78 152.23 2.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.83 -12.94 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.083 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.616 ' CG2' ' CE2' ' A' ' 27' ' ' TYR . 9.9 mm -78.88 -70.21 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 28.0 p -86.94 2.26 49.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.919 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 55.36 42.43 30.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 20' ' ' LYS . 6.6 mm-40 -125.98 144.28 50.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -34.39 139.65 0.08 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.464 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 6.8 mt -64.85 -5.86 6.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -105.22 -10.38 17.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.412 ' OG1' ' CB ' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -87.91 24.43 1.78 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.198 -179.907 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.544 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . 54.7 168.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.085 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.495 ' CB ' ' SG ' ' A' ' 55' ' ' CYS . 0.4 OUTLIER -64.58 136.45 57.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 -179.758 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -84.96 -18.43 61.23 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.432 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.616 ' CE2' ' CG2' ' A' ' 16' ' ' ILE . 10.5 m-30 -85.7 -12.01 52.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.909 0.385 . . . . 0.0 110.93 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.5 t -49.13 -24.23 1.57 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.923 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.02 -34.93 78.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.823 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.2 m -118.29 0.31 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.135 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 27' ' ' TYR . 2.9 m . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.116 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.562 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.867 0.365 . . . . 0.0 110.887 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.486 ' O ' ' CB ' ' A' ' 38' ' ' SER . . . 129.65 -72.85 0.47 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.464 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 37' ' ' GLY . 2.9 t 161.02 -20.83 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.901 0.382 . . . . 0.0 110.827 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -115.13 42.57 2.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.457 ' CB ' HD12 ' A' ' 53' ' ' LEU . . . -131.78 130.64 42.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.077 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.415 ' C ' HD13 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -103.27 143.91 14.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -125.37 174.71 17.45 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.486 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.446 ' O ' ' C ' ' A' ' 44' ' ' LEU . 3.2 t-160 -154.48 79.66 1.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.813 0.34 . . . . 0.0 110.861 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.472 HD22 ' CG2' ' A' ' 3' ' ' THR . 0.0 OUTLIER -34.61 109.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.99 7.12 4.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.187 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.1 tptt -88.92 -39.74 13.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.964 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.548 ' SG ' ' CD2' ' A' ' 49' ' ' HIS . 7.3 p -125.0 -15.41 6.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 1.5 m 83.33 40.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.548 ' CD2' ' SG ' ' A' ' 47' ' ' CYS . 8.1 m170 -111.93 131.78 55.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.606 ' C ' ' CG ' ' A' ' 51' ' ' PHE . . . -106.97 166.04 10.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.131 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.651 ' CD2' ' CD1' ' A' ' 56' ' ' LEU . 0.0 OUTLIER 167.36 166.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 -179.919 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.544 ' CE1' ' O ' ' A' ' 24' ' ' ALA . 48.4 m170 -61.29 100.79 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.457 HD12 ' CB ' ' A' ' 40' ' ' ALA . 8.0 mt -37.92 -60.47 0.73 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.429 ' CD2' ' HB2' ' A' ' 38' ' ' SER . 1.0 OUTLIER -45.5 -67.23 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.495 ' SG ' ' CB ' ' A' ' 25' ' ' SER . 71.6 m -38.49 -45.18 1.02 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.651 ' CD1' ' CD2' ' A' ' 51' ' ' PHE . 10.0 mt -65.36 -57.8 7.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 56' ' ' LEU . 22.3 tp -37.3 -28.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.961 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.502 ' N ' ' O ' ' A' ' 56' ' ' LEU . . . -74.5 -44.55 50.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.097 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.502 ' N ' ' O ' ' A' ' 56' ' ' LEU . 2.3 ppp? -90.23 -7.87 52.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.509 ' C ' ' CD2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -69.66 -16.36 63.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 -179.833 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.48 -10.7 3.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -97.49 -58.02 2.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.892 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 64' ' ' ASN . . . -108.86 177.13 20.31 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.451 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.482 ' O ' ' CE1' ' A' ' 60' ' ' TYR . 20.9 m-20 34.12 57.73 0.62 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.867 0.365 . . . . 0.0 110.9 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.2 105.91 18.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -155.33 -36.47 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 144.36 40.25 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.474 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.443 ' HB2' ' CD1' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -150.21 -89.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.997 0.427 . . . . 0.0 110.898 -179.828 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.563 ' C ' ' CD2' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -172.0 -179.65 2.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.909 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.473 ' N ' ' HB2' ' A' ' 60' ' ' TYR . 10.1 tt0 -135.13 151.63 50.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.47 ' N ' ' HG2' ' A' ' 70' ' ' GLN . 12.7 t -93.94 105.72 18.43 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.624 0.726 . . . . 0.0 110.851 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.484 ' HD2' ' CE1' ' A' ' 51' ' ' PHE . 54.1 Cg_endo -69.7 -27.68 26.48 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.735 2.29 . . . . 0.0 112.341 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.463 ' HG ' ' N ' ' A' ' 74' ' ' CYS . 0.3 OUTLIER -50.7 -65.24 0.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.855 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.463 ' N ' ' HG ' ' A' ' 73' ' ' SER . 14.5 p -114.79 23.55 12.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? 47.03 62.11 2.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.135 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.458 ' CG2' HD13 ' A' ' 69' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 120.775 0.321 . . . . 0.0 111.108 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.13 121.29 38.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.98 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -38.97 145.5 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 41' ' ' VAL . 3.4 mt -107.94 114.04 27.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.79 -13.53 1.81 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.962 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -157.45 159.23 30.92 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.671 0.748 . . . . 0.0 111.028 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 127.71 14.98 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.687 2.258 . . . . 0.0 112.291 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.47 ' O ' ' CB ' ' A' ' 11' ' ' ASP . 54.5 Cg_endo -69.79 -90.84 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.646 2.231 . . . . 0.0 112.386 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.47 ' CB ' ' O ' ' A' ' 10' ' ' PRO . 2.6 m-20 163.13 35.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.802 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.85 -22.89 10.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.421 ' C ' ' HG ' ' A' ' 21' ' ' LEU . 1.4 m-20 64.88 129.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.822 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.576 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 49.4 t -42.12 163.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.459 ' CG1' ' HG2' ' A' ' 72' ' ' PRO . 0.0 OUTLIER -119.34 -24.56 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.177 179.874 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.424 HD13 ' C ' ' A' ' 55' ' ' CYS . 0.2 OUTLIER -71.33 -66.78 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.887 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 18' ' ' MET . 17.3 p -90.76 22.73 3.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.841 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.432 ' C ' ' O ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER 35.27 43.78 0.14 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.407 ' CB ' ' SG ' ' A' ' 17' ' ' CYS . 16.3 tp10 -118.42 156.63 28.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.426 ' CB ' ' OG1' ' A' ' 23' ' ' THR . 0.0 OUTLIER -52.61 148.11 7.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.95 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.474 ' HG ' ' N ' ' A' ' 14' ' ' CYS . 9.8 mt -77.91 4.47 11.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -119.65 -22.13 7.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.426 ' OG1' ' CB ' ' A' ' 20' ' ' LYS . 0.8 OUTLIER -83.97 31.98 0.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.161 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 56.28 176.36 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.7 t -75.91 152.94 37.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.806 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -95.67 -16.06 40.84 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.447 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.434 ' O ' ' N ' ' A' ' 29' ' ' ASP . 12.0 m-30 -85.58 -6.64 59.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.874 0.369 . . . . 0.0 110.914 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.29 -25.48 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.842 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 27' ' ' TYR . 0.9 OUTLIER -57.14 -58.95 5.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.852 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.0 t -86.86 -69.17 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.126 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 33.1 p . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 -179.997 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.468 ' CD1' HD22 ' A' ' 57' ' ' LEU . 1.1 mt . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.897 0.38 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.7 16.15 5.27 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.457 ' CB ' HD22 ' A' ' 54' ' ' LEU . 24.3 p 46.31 54.88 7.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.932 0.396 . . . . 0.0 110.86 -179.726 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -177.42 56.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.498 ' O ' ' CD1' ' A' ' 53' ' ' LEU . . . -161.27 92.32 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.06 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 6' ' ' LEU . 0.7 OUTLIER -87.14 131.74 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -141.1 130.98 4.69 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.522 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.445 ' O ' ' ND1' ' A' ' 43' ' ' HIS . 16.3 p80 -79.61 132.89 36.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.771 0.319 . . . . 0.0 110.868 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 48' ' ' SER . 0.1 OUTLIER -69.45 107.66 3.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.915 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 73.6 p -41.0 -29.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.15 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -54.59 -69.81 0.12 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 31.1 p -108.31 -31.39 7.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 44' ' ' LEU . 22.7 m 66.24 83.23 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.837 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.597 ' HB2' ' CE2' ' A' ' 51' ' ' PHE . 27.1 m170 -118.79 -27.49 5.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.627 ' C ' ' CG ' ' A' ' 51' ' ' PHE . . . 84.84 138.64 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.101 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.627 ' CG ' ' C ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -170.7 -157.14 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.909 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.576 ' CE1' ' HB2' ' A' ' 14' ' ' CYS . 30.8 m170 -111.33 97.54 6.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.498 ' CD1' ' O ' ' A' ' 40' ' ' ALA . 37.7 mt -35.87 -33.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.457 HD22 ' CB ' ' A' ' 38' ' ' SER . 0.5 OUTLIER -69.2 -48.67 61.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.976 179.805 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.471 ' N ' ' O ' ' A' ' 52' ' ' HIS . 26.5 m -69.05 -38.72 79.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.523 HD12 ' CD1' ' A' ' 51' ' ' PHE . 29.5 mt -61.15 -38.01 84.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.468 HD22 ' CD1' ' A' ' 36' ' ' LEU . 26.9 tp -58.22 -31.29 67.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.953 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.79 -54.94 5.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.9 tmm? -57.51 -40.2 78.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.951 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.657 ' C ' ' CD1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -47.55 -19.9 0.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.977 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.9 p -57.97 -11.95 2.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -97.48 -63.65 1.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 64' ' ' ASN . . . -115.77 -165.41 14.43 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.488 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.487 ' ND2' ' OE1' ' A' ' 70' ' ' GLN . 6.5 m-20 34.34 46.45 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.889 0.376 . . . . 0.0 110.87 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.556 ' HA ' ' CE2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -84.96 80.91 9.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.84 -45.63 1.88 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 150.24 43.92 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.485 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -154.97 -74.19 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.905 0.384 . . . . 0.0 110.869 -179.723 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.553 ' C ' ' CD2' ' A' ' 69' ' ' LEU . 0.0 OUTLIER 176.47 -173.64 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.934 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.487 ' OE1' ' ND2' ' A' ' 64' ' ' ASN . 4.1 tp60 -132.49 157.95 43.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.473 ' O ' ' N ' ' A' ' 75' ' ' LYS . 39.1 t -91.89 106.53 17.66 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.585 0.707 . . . . 0.0 110.887 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.485 ' HD2' ' CD2' ' A' ' 51' ' ' PHE . 52.9 Cg_endo -69.83 -8.34 23.35 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.651 2.234 . . . . 0.0 112.32 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.426 ' HB3' ' ND1' ' A' ' 49' ' ' HIS . 28.3 t -81.62 -48.39 11.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 20.5 p -136.92 28.65 2.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 71' ' ' CYS . 14.7 mmtt 48.9 18.5 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.449 ' C ' ' OE1' ' A' ' 70' ' ' GLN . 0.7 OUTLIER . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.501 ' O ' ' N ' ' A' ' 5' ' ' GLU . 1.7 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.728 0.299 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.562 ' HB3' ' CE1' ' A' ' 43' ' ' HIS . 6.7 tt0 -34.05 93.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.953 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 3' ' ' THR . 3.0 tt0 -58.25 143.3 44.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.811 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 8' ' ' VAL . 14.3 mt -94.7 111.63 23.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.934 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 6' ' ' LEU . 18.5 tttt -36.91 -28.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.493 ' N ' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -145.04 165.88 20.33 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.641 0.734 . . . . 0.0 111.127 179.875 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.436 ' HD2' ' CG1' ' A' ' 8' ' ' VAL . 54.0 Cg_endo -69.73 132.9 24.36 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.725 2.283 . . . . 0.0 112.339 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.435 ' HG2' ' CD1' ' A' ' 21' ' ' LEU . 54.4 Cg_endo -69.7 -163.98 0.12 Allowed 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.7 2.266 . . . . 0.0 112.354 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -132.31 46.74 2.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.809 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.522 ' O ' ' CB ' ' A' ' 13' ' ' ASP . 1.5 mp0 -120.78 -97.82 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.522 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 2.5 m-20 159.51 149.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.849 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.458 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 42.7 t -66.54 148.81 51.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -97.48 -22.84 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.07 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.404 HG21 ' CZ ' ' A' ' 27' ' ' TYR . 1.1 mm -76.8 -70.78 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.081 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 25.4 p -79.53 -8.59 59.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.66 14.51 6.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.875 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -88.43 -178.36 5.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.825 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.448 ' HB2' ' CG2' ' A' ' 23' ' ' THR . 0.6 OUTLIER -71.55 133.05 45.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.88 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.435 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 6.4 mt -63.91 -8.08 10.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.2 t -102.37 -24.45 13.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.449 ' O ' ' CB ' ' A' ' 24' ' ' ALA . 40.2 p -77.87 7.6 5.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.142 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.531 ' CB ' ' CD2' ' A' ' 39' ' ' LEU . . . 80.5 -176.89 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.11 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.408 ' HA ' ' ND1' ' A' ' 52' ' ' HIS . 18.9 p -81.3 115.36 20.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.11 -20.0 25.99 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.509 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.468 ' HB2' ' CD1' ' A' ' 54' ' ' LEU . 4.4 m-30 -73.64 -16.48 61.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.827 0.346 . . . . 0.0 110.91 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 77.6 p -50.18 -24.25 2.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.814 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.26 -27.23 30.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.6 t -103.68 -80.98 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.083 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 72.5 p . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 -179.96 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.5 mp . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.902 0.382 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 146.98 -36.76 1.2 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.435 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.432 ' HA ' ' CB ' ' A' ' 54' ' ' LEU . 2.5 p 67.07 14.6 9.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.881 0.372 . . . . 0.0 110.85 -179.713 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.531 ' CD2' ' CB ' ' A' ' 24' ' ' ALA . 2.9 mt -149.9 52.9 0.92 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -150.92 155.83 39.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.127 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.6 t -124.21 131.07 73.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.192 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.41 ' C ' ' OG1' ' A' ' 3' ' ' THR . . . -154.34 139.04 6.5 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.462 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.602 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 16.3 p-80 -95.42 115.94 28.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.867 0.365 . . . . 0.0 110.891 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.489 ' CD1' HD22 ' A' ' 69' ' ' LEU . 9.0 tp -38.02 132.62 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.96 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.44 2.58 11.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.76 -46.35 7.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.42 ' HB2' ' NE2' ' A' ' 49' ' ' HIS . 9.3 p -115.58 -16.82 11.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.408 ' OG ' ' C ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER 59.16 72.94 0.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.758 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 51' ' ' PHE . 21.6 m170 -117.29 -101.11 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.605 ' O ' ' CD1' ' A' ' 51' ' ' PHE . . . 158.79 130.88 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.605 ' CD1' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -177.29 169.88 2.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.796 -179.928 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.485 ' CE1' ' O ' ' A' ' 24' ' ' ALA . 31.6 m170 -74.7 101.56 4.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.836 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 52' ' ' HIS . 5.8 mt -36.11 -48.68 0.62 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.488 ' CD1' ' N ' ' A' ' 55' ' ' CYS . 2.2 tm? -56.87 -70.06 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.488 ' N ' ' CD1' ' A' ' 54' ' ' LEU . 57.7 m -35.69 -46.26 0.42 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.567 HD12 ' CD2' ' A' ' 51' ' ' PHE . 6.8 mt -60.42 -56.41 21.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.421 HD11 ' C ' ' A' ' 57' ' ' LEU . 2.8 tm? -46.04 -20.62 0.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.409 ' N ' ' C ' ' A' ' 56' ' ' LEU . . . -75.14 -66.45 0.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.061 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.8 ptm -75.27 -8.46 56.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.94 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.55 ' CD2' ' HA ' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -57.31 -25.36 59.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.97 -179.899 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -9.21 3.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.921 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -88.2 -54.36 4.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -134.25 -171.03 12.44 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.478 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 76' ' ' THR . 7.1 t-20 69.88 -69.28 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.851 0.358 . . . . 0.0 110.89 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.46 ' HA ' ' CE2' ' A' ' 60' ' ' TYR . 9.4 mmmt 34.34 87.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -160.95 57.41 0.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 44.67 51.21 8.15 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.506 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.425 ' C ' HD13 ' A' ' 69' ' ' LEU . 58.3 m -168.26 -98.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.924 0.392 . . . . 0.0 110.832 -179.739 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.55 ' HA ' ' CD2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -172.33 -174.01 1.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.482 ' N ' ' HB2' ' A' ' 60' ' ' TYR . 4.1 tp-100 -115.28 157.75 23.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.496 ' SG ' ' CE1' ' A' ' 51' ' ' PHE . 43.4 t -98.18 111.7 60.18 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.644 0.735 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.403 ' HD3' ' CD2' ' A' ' 56' ' ' LEU . 53.0 Cg_endo -69.86 3.92 2.54 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.612 2.208 . . . . 0.0 112.341 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.446 ' OG ' ' N ' ' A' ' 74' ' ' CYS . 0.0 OUTLIER -100.69 -72.22 0.68 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 -179.857 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 76' ' ' THR . 20.2 p -111.28 30.19 7.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 74' ' ' CYS . 0.1 OUTLIER 33.65 34.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.927 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.495 ' O ' ' ND2' ' A' ' 64' ' ' ASN . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.183 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . 0.445 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 5.8 p30 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.83 0.348 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.561 ' CE1' ' O ' ' A' ' 67' ' ' GLY . 0.1 OUTLIER -108.39 2.61 22.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.961 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.499 ' O ' ' N ' ' A' ' 5' ' ' GLU . 1.1 p -124.34 135.08 53.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.158 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.563 ' HB3' ' CE1' ' A' ' 43' ' ' HIS . 36.7 tt0 -38.21 92.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 3' ' ' THR . 15.0 tt0 -52.63 160.61 0.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 8' ' ' VAL . 18.0 mt -124.69 112.71 17.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.949 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 6' ' ' LEU . 2.9 tptt -37.33 -28.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.955 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.495 ' N ' ' O ' ' A' ' 6' ' ' LEU . 2.7 m -143.96 146.93 36.15 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.641 0.734 . . . . 0.0 111.13 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.81 130.49 19.37 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.698 2.265 . . . . 0.0 112.325 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.465 ' HG2' ' CD1' ' A' ' 21' ' ' LEU . 53.6 Cg_endo -69.75 -163.84 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.701 2.268 . . . . 0.0 112.307 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -114.15 22.96 13.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -83.91 -21.5 31.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 64.29 136.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.468 ' N ' ' HG ' ' A' ' 21' ' ' LEU . 13.5 t -49.88 166.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.46 ' CG1' ' HG2' ' A' ' 72' ' ' PRO . 0.0 OUTLIER -123.9 -14.52 5.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.13 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.532 HG21 ' CE2' ' A' ' 27' ' ' TYR . 0.7 OUTLIER -81.29 -66.23 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.046 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.0 p -85.85 -4.81 59.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.964 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.4 mtp 58.65 45.26 16.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -125.17 161.43 26.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.6 mttp -52.96 132.12 36.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.468 ' HG ' ' N ' ' A' ' 14' ' ' CYS . 6.4 mt -65.18 -5.49 6.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -87.8 -44.36 11.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -55.11 -93.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.143 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 178.91 -176.78 0.25 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 t -66.42 132.1 47.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -79.12 -26.82 57.2 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.533 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.532 ' CE2' HG21 ' A' ' 16' ' ' ILE . 13.1 m-30 -84.53 -3.35 58.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.848 0.356 . . . . 0.0 110.916 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.21 -25.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.91 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 27' ' ' TYR . 4.0 m-20 -63.07 -59.02 5.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.819 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -127.96 91.17 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.26 144.12 26.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.199 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.42 ' CG ' ' O ' ' A' ' 32' ' ' ASP . 6.3 p-10 -84.15 50.4 1.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.887 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.21 127.71 32.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.02 -66.27 0.93 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -133.23 6.11 3.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.076 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.405 ' N ' HD21 ' A' ' 36' ' ' LEU . 2.2 mt -82.57 4.66 23.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 39.99 -99.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.544 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.0 p 177.31 48.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.926 0.393 . . . . 0.0 110.853 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.4 tp -177.69 49.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.922 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -133.45 112.15 11.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.082 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 13.0 t -96.03 119.19 43.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.101 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -140.68 136.84 7.86 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.563 ' CE1' ' HB3' ' A' ' 4' ' ' GLU . 30.4 p80 -92.64 108.84 20.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.78 0.324 . . . . 0.0 110.823 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 48' ' ' SER . 0.1 OUTLIER -37.95 125.57 1.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.46 ' N ' HD21 ' A' ' 44' ' ' LEU . 3.7 p -58.25 -30.07 66.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.464 ' HB3' ' CG2' ' A' ' 76' ' ' THR . 0.0 OUTLIER -52.39 -68.1 0.2 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.869 179.859 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.501 ' O ' ' CB ' ' A' ' 48' ' ' SER . 10.2 p -96.9 -38.18 9.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 0.3 OUTLIER 82.75 71.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.808 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.535 ' O ' ' CB ' ' A' ' 50' ' ' ALA . 30.7 m170 -117.86 -99.98 0.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.86 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.606 ' O ' ' CD1' ' A' ' 51' ' ' PHE . . . 158.99 133.0 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.19 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.606 ' CD1' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -176.58 148.62 0.73 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.91 -179.86 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.494 ' O ' ' CD1' ' A' ' 56' ' ' LEU . 33.2 m170 -48.55 99.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.83 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.445 ' CD1' ' HB3' ' A' ' 1' ' ' ASN . 14.4 mt -35.85 -61.42 0.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.526 ' C ' ' CD1' ' A' ' 54' ' ' LEU . 0.3 OUTLIER -42.22 -58.4 2.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.458 ' HB3' ' CB ' ' A' ' 16' ' ' ILE . 66.6 m -43.25 -60.8 1.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.53 HD21 ' CD2' ' A' ' 51' ' ' PHE . 5.4 mp -45.46 -58.36 3.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.569 HD11 ' CD1' ' A' ' 60' ' ' TYR . 7.6 tp -41.02 -24.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 56' ' ' LEU . . . -70.38 -66.74 0.56 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.067 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.461 ' CE ' ' HG2' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -76.76 -7.87 56.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.634 ' CD2' ' HA ' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -62.86 -19.51 64.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.885 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.01 -9.19 36.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.844 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.413 ' O ' ' NZ ' ' A' ' 65' ' ' LYS . 1.1 t-20 -91.53 -55.58 3.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.959 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 64' ' ' ASN . . . -119.44 -167.74 13.76 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.433 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.476 ' ND2' ' HA ' ' A' ' 70' ' ' GLN . 5.4 m-20 35.81 53.95 0.89 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.935 0.398 . . . . 0.0 110.855 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.413 ' NZ ' ' O ' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -88.98 104.45 16.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 179.887 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -157.01 -47.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.561 ' O ' ' CE1' ' A' ' 2' ' ' TYR . . . 162.37 32.45 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.496 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.521 ' HA ' ' CZ ' ' A' ' 2' ' ' TYR . 21.2 p -152.5 -95.55 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.869 0.366 . . . . 0.0 110.877 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.634 ' HA ' ' CD2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER 177.32 174.83 0.44 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.476 ' HA ' ' ND2' ' A' ' 64' ' ' ASN . 0.0 OUTLIER -110.81 157.59 19.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.968 179.93 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.539 ' SG ' ' CZ ' ' A' ' 51' ' ' PHE . 5.5 t -85.2 114.86 58.54 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.54 0.686 . . . . 0.0 110.91 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.469 ' CD ' HD21 ' A' ' 56' ' ' LEU . 54.1 Cg_endo -69.77 -26.84 27.11 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.654 2.236 . . . . 0.0 112.385 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.4 t -57.95 -71.79 0.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 21.1 p -107.83 31.35 5.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.95 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.5 mmtm 48.48 33.11 3.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.464 ' CG2' ' HB3' ' A' ' 46' ' ' LYS . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.808 0.337 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.515 ' CZ ' ' HB2' ' A' ' 68' ' ' SER . 0.0 OUTLIER -111.14 -3.03 15.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.997 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.419 ' HB ' ' C ' ' A' ' 43' ' ' HIS . 0.1 OUTLIER -108.47 119.46 39.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.146 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 5' ' ' GLU . 4.8 tt0 -84.83 107.59 17.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 4' ' ' GLU . 8.8 tt0 -35.06 133.47 0.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.2 OUTLIER -85.89 103.03 14.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.947 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -37.31 -28.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.837 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.495 ' N ' ' O ' ' A' ' 6' ' ' LEU . 0.9 OUTLIER -136.01 144.09 46.88 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.662 0.744 . . . . 0.0 111.104 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 138.83 38.48 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.656 2.238 . . . . 0.0 112.325 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 11' ' ' ASP . 53.3 Cg_endo -69.69 -34.36 14.97 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.748 2.299 . . . . 0.0 112.331 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 10' ' ' PRO . 1.1 t0 83.0 10.62 0.55 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.487 ' O ' ' CB ' ' A' ' 13' ' ' ASP . 1.7 mm-40 -67.89 -93.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 1.1 t0 161.21 115.89 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.489 ' N ' ' O ' ' A' ' 19' ' ' GLU . 37.3 t -39.44 144.3 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -100.06 -13.97 8.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.14 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.465 ' CD1' ' HB3' ' A' ' 55' ' ' CYS . 74.5 mt -84.71 -71.89 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.074 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.46 ' SG ' ' CB ' ' A' ' 19' ' ' GLU . 20.8 p -79.76 3.61 18.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 56.19 25.7 9.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 14' ' ' CYS . 12.3 tp10 -105.43 161.7 14.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -58.82 143.9 45.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.409 ' HG ' ' N ' ' A' ' 14' ' ' CYS . 10.7 mt -79.82 12.34 2.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -102.02 -47.48 4.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.861 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.437 ' OG1' ' N ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -58.32 -90.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.141 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.437 ' N ' ' OG1' ' A' ' 23' ' ' THR . . . -178.49 165.31 1.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.465 ' CB ' ' HB3' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -54.81 112.06 0.96 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.727 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.52 -21.36 57.47 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.498 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.475 ' O ' ' N ' ' A' ' 29' ' ' ASP . 3.3 m-85 -72.49 -22.14 61.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.834 0.35 . . . . 0.0 110.896 -179.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.0 p -38.31 -28.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -45.05 -64.06 0.79 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 179.909 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.4 m -108.71 -6.12 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.216 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.402 ' CG2' ' HB2' ' A' ' 58' ' ' ALA . 0.5 OUTLIER -115.99 64.81 0.7 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.173 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -96.32 64.24 2.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.22 157.87 0.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.49 33.71 4.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -134.47 -41.64 0.79 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.078 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.421 ' CD1' ' HB2' ' A' ' 57' ' ' LEU . 72.2 mt -90.95 -78.4 0.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 39' ' ' LEU . . . 101.65 100.84 2.49 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.512 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' ' 39' ' ' LEU . 4.8 p -40.11 94.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.923 0.392 . . . . 0.0 110.82 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.497 ' CB ' ' O ' ' A' ' 38' ' ' SER . 0.4 OUTLIER 161.31 -21.72 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.956 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -82.46 101.23 10.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.07 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.2 t -79.6 116.87 24.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -129.56 141.74 12.91 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.422 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.469 ' CD2' ' HA ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -120.63 127.34 51.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.819 0.342 . . . . 0.0 110.894 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.4 mt -62.54 122.39 15.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 16.1 p -80.51 9.23 6.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.148 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.19 -36.54 14.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.592 ' SG ' ' CD2' ' A' ' 49' ' ' HIS . 7.6 p -124.52 -16.23 6.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.885 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 2.1 t 83.42 39.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.592 ' CD2' ' SG ' ' A' ' 47' ' ' CYS . 7.9 m170 -109.51 149.42 29.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.825 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.603 ' C ' ' CG ' ' A' ' 51' ' ' PHE . . . -122.55 163.25 20.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.045 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.646 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 0.0 OUTLIER 169.88 173.84 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.856 -179.886 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.408 ' CE1' ' HB2' ' A' ' 14' ' ' CYS . 30.1 m170 -66.8 111.43 3.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 15.2 mt -43.37 -60.7 1.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.465 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 0.9 OUTLIER -46.32 -65.23 0.58 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.967 179.899 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.465 ' HB3' ' CD1' ' A' ' 16' ' ' ILE . 69.7 m -39.55 -50.77 2.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.64 ' CD1' ' CD1' ' A' ' 51' ' ' PHE . 7.7 mt -60.21 -58.57 7.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.004 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.421 ' HB2' ' CD1' ' A' ' 36' ' ' LEU . 9.2 tp -40.26 -39.95 1.04 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.908 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.402 ' HB2' ' CG2' ' A' ' 31' ' ' THR . . . -66.77 -66.23 0.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.076 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.468 ' CE ' ' HB3' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -64.13 -8.85 13.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.611 ' C ' ' CD2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -67.49 -17.08 64.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 -179.882 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 46.9 t -62.61 -9.37 8.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.966 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -97.02 -57.69 2.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 64' ' ' ASN . . . -118.88 179.65 16.81 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.452 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 63' ' ' GLY . 5.9 t-20 34.43 45.87 0.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.882 0.372 . . . . 0.0 110.904 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.461 ' HA ' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -78.76 68.42 4.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.931 179.872 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.441 ' CB ' ' OH ' ' A' ' 2' ' ' TYR . 0.6 OUTLIER -115.13 31.25 6.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.847 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.84 56.08 20.92 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.492 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 2' ' ' TYR . 16.1 m -164.26 -73.14 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.857 0.36 . . . . 0.0 110.838 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.505 ' C ' ' CD2' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -179.89 -178.3 0.43 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.468 ' HB3' ' CE ' ' A' ' 59' ' ' MET . 30.2 tt0 -137.56 154.19 49.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.46 ' N ' ' HG2' ' A' ' 70' ' ' GLN . 36.6 t -100.04 100.16 10.89 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.606 0.717 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 0.37 5.74 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.657 2.238 . . . . 0.0 112.302 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.05 -63.14 1.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.869 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.3 p -118.77 18.73 13.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.854 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 44.45 50.81 8.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.945 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.877 0.37 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 68' ' ' SER . 0.2 OUTLIER -105.28 -22.38 13.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.874 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.469 ' HB ' ' N ' ' A' ' 43' ' ' HIS . 0.5 OUTLIER -103.3 136.4 43.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.129 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -102.6 115.08 29.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -39.26 145.39 0.11 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.945 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 16.4 mt -112.53 139.71 47.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -16.21 24.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -160.08 153.96 19.47 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.615 0.721 . . . . 0.0 111.114 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 127.99 15.44 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.752 2.301 . . . . 0.0 112.3 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.47 ' HG2' ' CD1' ' A' ' 21' ' ' LEU . 53.0 Cg_endo -69.84 -163.83 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.708 2.272 . . . . 0.0 112.321 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.25 50.23 1.33 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -111.87 -26.95 8.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 65.39 128.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.814 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.458 ' N ' ' HG ' ' A' ' 21' ' ' LEU . 47.0 t -40.6 157.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -117.32 -20.54 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.135 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -74.02 -69.97 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 28.3 p -81.12 2.12 28.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 2.3 mtp 52.36 50.84 17.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.905 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -128.99 -178.38 4.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.3 mttt -70.77 139.99 51.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.47 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 7.5 mt -70.58 -0.02 7.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.986 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 p -113.52 -11.76 13.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.67 10.64 15.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.083 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.524 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . 75.27 170.78 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.446 ' CB ' ' HB3' ' A' ' 54' ' ' LEU . 0.3 OUTLIER -73.44 124.31 25.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.844 -179.815 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -70.87 -15.05 73.62 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.513 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -77.86 -24.77 48.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.941 0.4 . . . . 0.0 110.909 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.8 t -43.09 -28.1 0.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.65 -45.16 9.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.857 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.1 p -134.27 2.49 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.127 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.48 92.37 3.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.198 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 34' ' ' LYS . 37.8 t0 -85.4 15.16 4.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.827 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.6 t 42.01 -92.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.048 0.451 . . . . 0.0 110.905 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -176.7 -56.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.928 179.888 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -139.66 5.92 2.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.055 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.43 HD12 ' N ' ' A' ' 54' ' ' LEU . 56.2 mt -74.09 -33.27 63.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.24 3.75 13.67 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.492 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 49.61 26.36 1.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.892 0.377 . . . . 0.0 110.876 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.405 ' O ' ' CG ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -127.97 33.24 4.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -141.38 150.43 42.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.046 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -116.3 122.11 69.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.408 ' C ' ' HB ' ' A' ' 3' ' ' THR . . . -134.1 135.51 8.04 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.503 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.469 ' N ' ' HB ' ' A' ' 3' ' ' THR . 2.6 p80 -111.86 123.1 49.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.812 0.339 . . . . 0.0 110.771 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.442 ' CD2' ' HB2' ' A' ' 2' ' ' TYR . 0.1 OUTLIER -55.01 129.28 37.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.5 p -84.3 24.03 1.01 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -108.03 -40.33 5.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.546 ' SG ' ' CD2' ' A' ' 49' ' ' HIS . 7.5 p -124.44 -16.49 6.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.874 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 1.3 t 83.13 31.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.546 ' CD2' ' SG ' ' A' ' 47' ' ' CYS . 8.9 m170 -100.34 124.9 46.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.601 ' C ' ' CG ' ' A' ' 51' ' ' PHE . . . -100.6 163.62 12.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.648 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 0.0 OUTLIER 171.11 -179.18 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.524 ' CE1' ' O ' ' A' ' 24' ' ' ALA . 32.8 m170 -73.76 105.8 5.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 22.6 mt -39.24 -51.15 1.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.914 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.548 ' C ' ' CD1' ' A' ' 54' ' ' LEU . 0.1 OUTLIER -56.11 -70.0 0.13 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.436 ' C ' ' O ' ' A' ' 54' ' ' LEU . 61.3 m -35.69 -44.41 0.33 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.643 ' CD1' ' CD1' ' A' ' 51' ' ' PHE . 7.3 mt -67.84 -56.78 7.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.417 ' CD1' ' O ' ' A' ' 68' ' ' SER . 0.3 OUTLIER -45.97 -25.36 0.54 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.953 179.854 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.73 -65.7 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.102 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.468 ' CE ' ' HB3' ' A' ' 70' ' ' GLN . 0.3 OUTLIER -72.66 -13.69 61.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.832 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.585 ' C ' ' CD2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -55.52 -17.07 4.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.997 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.433 ' N ' ' CD2' ' A' ' 60' ' ' TYR . 42.3 t -61.46 -9.29 5.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -95.57 -56.49 2.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 64' ' ' ASN . . . -123.07 176.43 16.61 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.421 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.452 ' C ' ' O ' ' A' ' 63' ' ' GLY . 2.9 t-20 34.43 51.25 0.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.853 0.359 . . . . 0.0 110.888 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.541 ' HA ' ' CE1' ' A' ' 60' ' ' TYR . 1.7 ttpm? -102.2 70.26 1.18 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.959 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.01 -28.03 7.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.871 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 154.43 56.52 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.462 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.567 ' HB3' ' CE2' ' A' ' 2' ' ' TYR . 1.6 t -176.12 -91.71 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.902 0.382 . . . . 0.0 110.864 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.568 ' C ' ' CD2' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -169.42 -173.65 1.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.468 ' HB3' ' CE ' ' A' ' 59' ' ' MET . 64.3 tt0 -124.89 157.53 35.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.958 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 72' ' ' PRO . 16.9 t -104.25 104.17 42.72 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.595 0.712 . . . . 0.0 110.834 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 71' ' ' CYS . 54.4 Cg_endo -69.73 -12.27 32.62 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.732 2.288 . . . . 0.0 112.389 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.411 ' HB3' ' ND1' ' A' ' 49' ' ' HIS . 0.3 OUTLIER -70.49 -56.89 5.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.845 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.5 p -126.78 30.5 5.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.3 mptt 43.44 47.98 6.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.161 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.823 0.344 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.506 ' CE1' ' HB2' ' A' ' 68' ' ' SER . 0.1 OUTLIER -106.97 -19.94 13.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 -179.914 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.412 ' HB ' ' C ' ' A' ' 43' ' ' HIS . 0.1 OUTLIER -117.4 170.63 8.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.098 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 5' ' ' GLU . 4.9 tt0 -140.0 119.99 13.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 4' ' ' GLU . 6.7 tt0 -35.35 144.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.867 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.41 ' C ' ' N ' ' A' ' 8' ' ' VAL . 10.0 mt -105.22 111.11 23.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.5 mmtm -44.63 -22.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.41 ' N ' ' C ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -142.02 160.37 55.68 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.662 0.744 . . . . 0.0 111.099 179.904 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.89 127.98 15.26 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.658 2.239 . . . . 0.0 112.301 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.465 ' O ' ' CB ' ' A' ' 11' ' ' ASP . 53.7 Cg_endo -69.79 -34.68 14.0 Favored 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 122.713 2.275 . . . . 0.0 112.375 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 10' ' ' PRO . 2.2 t0 82.94 18.19 0.27 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.497 ' O ' ' CB ' ' A' ' 13' ' ' ASP . 0.3 OUTLIER -77.37 -29.21 53.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.918 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 3.8 t70 82.95 120.34 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.444 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 27.1 t -45.66 162.23 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.82 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -120.5 -16.75 6.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.157 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.577 ' CG2' ' CE1' ' A' ' 27' ' ' TYR . 78.7 mt -80.7 -70.7 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.8 p -82.33 6.39 17.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 19.1 mmm 47.4 63.19 2.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -138.33 176.67 8.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.832 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.7 mtmp? -72.73 133.23 44.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.43 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 9.6 mt -67.96 -8.38 36.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.0 t -91.79 -32.79 15.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.556 ' CG2' ' N ' ' A' ' 24' ' ' ALA . 4.3 m -65.37 -90.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.119 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.556 ' N ' ' CG2' ' A' ' 23' ' ' THR . . . 175.32 155.61 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.124 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.6 t -45.79 144.67 1.64 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -92.66 -14.54 55.16 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.421 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.577 ' CE1' ' CG2' ' A' ' 16' ' ' ILE . 11.8 m-30 -92.47 0.46 57.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.913 0.387 . . . . 0.0 110.921 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.5 t -52.47 -19.86 2.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.884 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -55.96 -45.35 78.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.851 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.3 t -108.62 -61.94 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.131 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.455 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 50.1 p -46.81 -82.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.129 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.455 ' CB ' ' O ' ' A' ' 31' ' ' THR . 12.7 t0 80.35 -12.45 1.04 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.462 ' HG ' ' N ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER 56.14 168.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 -179.792 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.462 ' N ' ' HG ' ' A' ' 33' ' ' SER . 0.0 OUTLIER -147.28 50.8 1.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.401 ' CB ' ' O ' ' A' ' 34' ' ' LYS . . . 168.46 -29.06 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.111 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.463 ' CD1' ' HB2' ' A' ' 57' ' ' LEU . 2.6 mt -91.99 -60.52 1.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 110.14 139.98 8.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.8 m -76.02 49.12 0.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.886 0.374 . . . . 0.0 110.857 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -179.56 40.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -132.51 124.42 28.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.444 HG11 ' CD ' ' A' ' 10' ' ' PRO . 1.5 t -97.51 134.3 36.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -135.2 133.34 6.67 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.483 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.543 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -107.26 117.54 34.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.803 0.335 . . . . 0.0 110.824 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.441 ' CD1' HD23 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -59.64 115.77 3.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 20.2 p -75.28 2.85 10.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.0 tppt? -86.76 -42.73 13.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.947 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.592 ' SG ' ' CD2' ' A' ' 49' ' ' HIS . 7.2 p -124.35 -16.59 6.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 1.7 t 83.26 42.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.834 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.592 ' CD2' ' SG ' ' A' ' 47' ' ' CYS . 8.4 m170 -112.72 125.42 54.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.868 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.574 ' C ' ' CG ' ' A' ' 51' ' ' PHE . . . -96.25 162.48 13.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.693 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 0.0 OUTLIER 170.49 169.6 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.862 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.444 ' CE1' ' HB2' ' A' ' 14' ' ' CYS . 27.5 m170 -64.96 104.22 0.83 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.773 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 19.3 mt -38.9 -52.68 1.76 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.47 -69.75 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 76.4 m -38.11 -45.51 0.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.652 ' CD1' ' CD1' ' A' ' 51' ' ' PHE . 12.8 mt -63.85 -47.87 79.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.463 ' HB2' ' CD1' ' A' ' 36' ' ' LEU . 17.2 tp -43.63 -33.07 1.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.37 -66.34 0.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.465 ' SD ' ' N ' ' A' ' 60' ' ' TYR . 3.0 ppp? -56.86 -16.66 7.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.574 ' C ' ' CD2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -66.56 -14.87 62.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 -179.879 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.3 m -63.23 -10.02 13.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -97.36 -56.85 2.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.965 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.466 ' HA3' ' NE2' ' A' ' 70' ' ' GLN . . . -117.88 -174.47 16.6 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.528 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 76' ' ' THR . 9.2 m-20 34.27 45.88 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.901 0.382 . . . . 0.0 110.941 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.566 ' HA ' ' CE1' ' A' ' 60' ' ' TYR . 2.6 ttpp -87.28 77.69 8.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.844 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.442 ' CB ' ' OH ' ' A' ' 2' ' ' TYR . 1.0 OUTLIER -121.39 -42.0 2.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.835 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 156.84 39.48 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.46 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.506 ' HB2' ' CE1' ' A' ' 2' ' ' TYR . 58.6 m -155.62 -94.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.874 0.369 . . . . 0.0 110.824 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.542 ' C ' ' CD2' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -159.45 -173.42 4.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.472 ' N ' ' HB2' ' A' ' 60' ' ' TYR . 50.4 tt0 -134.64 157.7 45.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.948 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.456 ' N ' ' HG2' ' A' ' 70' ' ' GLN . 7.6 t -98.9 101.36 11.96 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.605 0.717 . . . . 0.0 110.935 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -6.79 19.45 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.667 2.244 . . . . 0.0 112.352 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.79 -68.4 0.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.6 p -111.54 10.85 21.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? 60.02 51.67 5.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.957 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.458 ' O ' ' ND2' ' A' ' 64' ' ' ASN . 1.4 m . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.114 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.797 0.332 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.571 ' CE1' ' HB2' ' A' ' 68' ' ' SER . 0.0 OUTLIER -100.73 10.15 41.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.969 -179.93 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.453 ' CG2' ' HA ' ' A' ' 44' ' ' LEU . 50.4 p -114.62 169.16 9.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.111 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -133.26 121.1 21.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -47.22 146.52 1.85 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.402 ' N ' HD22 ' A' ' 6' ' ' LEU . 0.7 OUTLIER -99.52 123.88 44.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.958 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.435 ' O ' ' CG1' ' A' ' 8' ' ' VAL . 1.8 tttp -57.24 -18.75 17.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.966 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.435 ' CG1' ' O ' ' A' ' 7' ' ' LYS . 3.1 m -163.82 147.32 8.1 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.607 0.718 . . . . 0.0 111.175 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.88 110.34 2.56 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.66 2.24 . . . . 0.0 112.33 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -165.39 0.15 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.641 2.227 . . . . 0.0 112.364 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -101.87 40.82 1.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -100.38 -34.96 9.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.813 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.459 ' CA ' ' HG ' ' A' ' 21' ' ' LEU . 55.0 m-20 61.58 132.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.795 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.561 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 53.4 t -39.01 159.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -117.86 -25.03 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.076 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.462 HD12 ' CD2' ' A' ' 56' ' ' LEU . 0.3 OUTLIER -74.74 -66.84 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 18' ' ' MET . 14.5 p -86.57 16.74 4.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.43 ' C ' ' O ' ' A' ' 17' ' ' CYS . 6.7 mtt 35.1 69.06 0.18 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -140.99 -177.39 5.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.9 mtpt -75.18 138.02 41.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.923 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.459 ' HG ' ' CA ' ' A' ' 13' ' ' ASP . 7.0 mt -69.82 -2.79 13.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.3 t -109.94 -10.27 14.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 55.0 p -96.24 34.33 1.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.125 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.413 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . 49.92 178.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.405 ' HA ' ' ND1' ' A' ' 52' ' ' HIS . 0.1 OUTLIER -69.72 145.42 52.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.799 -179.754 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -87.17 -30.92 18.52 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.51 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.436 ' O ' ' N ' ' A' ' 29' ' ' ASP . 11.9 m-30 -73.12 -18.17 61.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.927 0.394 . . . . 0.0 110.925 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.1 t -40.09 -27.31 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.853 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 27' ' ' TYR . 0.4 OUTLIER -54.15 -45.98 72.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.437 ' O ' ' C ' ' A' ' 31' ' ' THR . 0.2 OUTLIER -110.46 -62.66 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.172 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 30' ' ' VAL . 1.3 p -34.78 -78.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.178 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 75.38 -5.4 2.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 45.31 -171.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.7 tttp -148.27 40.62 0.95 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -176.35 -43.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.137 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.7 mt -74.21 -164.38 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.82 -0.94 5.14 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.507 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 68.75 9.12 7.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.943 0.401 . . . . 0.0 110.853 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -134.09 27.35 3.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -132.45 109.49 9.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.066 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -96.82 128.0 48.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -139.06 153.93 23.06 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.478 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.415 ' CD2' ' OG ' ' A' ' 48' ' ' SER . 7.2 p-80 -104.34 153.93 20.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.808 0.337 . . . . 0.0 110.852 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.583 ' CD1' ' CD2' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -82.46 118.04 22.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.981 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.483 ' CG2' ' O ' ' A' ' 2' ' ' TYR . 59.8 p -53.85 -14.74 1.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.14 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.433 ' CB ' HG23 ' A' ' 76' ' ' THR . 3.3 mmmt -71.76 -28.05 63.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 48' ' ' SER . 26.1 p -143.42 -44.34 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 0.3 OUTLIER 83.02 74.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.834 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.569 ' HB2' ' CE1' ' A' ' 51' ' ' PHE . 27.1 m170 -116.73 -24.76 7.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.847 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.6 ' C ' ' CG ' ' A' ' 51' ' ' PHE . . . 73.98 137.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.105 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.64 ' CD2' ' N ' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -172.95 159.13 3.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.93 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.561 ' CE1' ' HB2' ' A' ' 14' ' ' CYS . 42.1 m170 -60.07 98.79 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 52' ' ' HIS . 28.8 mt -36.16 -43.97 0.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.529 ' C ' ' CD1' ' A' ' 54' ' ' LEU . 0.3 OUTLIER -60.1 -67.04 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 90.3 m -43.59 -39.19 3.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.926 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 58' ' ' ALA . 10.5 mt -68.46 -57.34 5.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -37.89 -28.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.868 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 56' ' ' LEU . . . -86.57 -60.62 1.94 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.4 ttp -63.17 -8.53 8.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.507 ' CD2' ' N ' ' A' ' 61' ' ' CYS . 0.0 OUTLIER -78.46 -38.0 42.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.507 ' N ' ' CD2' ' A' ' 60' ' ' TYR . 85.8 m -35.16 -31.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.875 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 60' ' ' TYR . 2.1 m-20 -97.53 -71.74 0.67 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.494 ' O ' ' N ' ' A' ' 65' ' ' LYS . . . -60.27 148.0 44.25 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.514 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.584 ' N ' ' NE2' ' A' ' 70' ' ' GLN . 1.8 m-20 57.18 -80.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.914 0.387 . . . . 0.0 110.877 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 63' ' ' GLY . 0.0 OUTLIER 67.56 122.18 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.897 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -178.93 -47.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.825 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.448 ' N ' ' OH ' ' A' ' 60' ' ' TYR . . . 145.07 45.27 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.516 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.571 ' HB2' ' CE1' ' A' ' 2' ' ' TYR . 13.2 m -158.62 -73.17 0.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.968 0.413 . . . . 0.0 110.861 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.583 ' CD2' ' CD1' ' A' ' 44' ' ' LEU . 0.0 OUTLIER 178.6 -172.91 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.946 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.584 ' NE2' ' N ' ' A' ' 64' ' ' ASN . 3.4 tp-100 -145.79 156.7 43.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.988 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.452 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 18.1 t -89.42 109.2 29.83 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.615 0.722 . . . . 0.0 110.894 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.553 ' HD2' ' CD1' ' A' ' 51' ' ' PHE . 53.9 Cg_endo -69.75 -0.87 7.53 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.637 2.225 . . . . 0.0 112.361 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.441 ' OG ' ' N ' ' A' ' 74' ' ' CYS . 1.1 t -98.61 -87.37 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 76' ' ' THR . 14.5 p -88.18 32.89 0.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 74' ' ' CYS . 0.0 OUTLIER 34.27 33.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.901 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.492 ' N ' ' O ' ' A' ' 74' ' ' CYS . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.1 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 17.2 p30 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.891 0.377 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.653 ' CD1' ' N ' ' A' ' 2' ' ' TYR . 0.0 OUTLIER -95.6 -14.07 23.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.847 -179.88 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.421 ' HB ' ' N ' ' A' ' 43' ' ' HIS . 1.6 p -108.07 141.63 39.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.161 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.467 ' O ' ' CD2' ' A' ' 6' ' ' LEU . 9.5 tt0 -102.07 107.99 19.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -40.74 138.73 0.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.467 ' CD2' ' O ' ' A' ' 4' ' ' GLU . 6.3 mt -108.39 120.44 42.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -42.49 -23.52 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.434 ' N ' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -151.43 158.59 34.3 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.55 0.691 . . . . 0.0 111.161 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 135.5 30.7 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.686 2.257 . . . . 0.0 112.4 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -90.84 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.672 2.248 . . . . 0.0 112.366 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 168.7 33.96 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.887 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.436 ' O ' ' CB ' ' A' ' 13' ' ' ASP . 9.1 tm-20 -101.35 -37.63 8.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.454 ' CA ' ' HG ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER 78.51 127.54 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.507 ' HB2' ' CG ' ' A' ' 52' ' ' HIS . 43.0 t -46.54 147.23 1.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -100.92 -23.5 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.168 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.516 HG21 ' CZ ' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -64.87 -70.01 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 179.826 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' A' ' 18' ' ' MET . 31.5 p -95.19 20.84 8.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.942 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.427 ' C ' ' O ' ' A' ' 17' ' ' CYS . 1.1 ptp 34.58 70.85 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -135.19 -178.34 5.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.6 mttt -80.95 127.54 32.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.454 ' HG ' ' CA ' ' A' ' 13' ' ' ASP . 11.6 mt -61.81 -10.02 8.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.1 p -87.44 -38.68 15.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.465 ' CG2' ' N ' ' A' ' 24' ' ' ALA . 17.2 m -61.26 -92.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.163 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.468 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . -176.84 177.55 1.31 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.128 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.454 ' CB ' ' HB3' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -71.09 125.66 27.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.899 -179.829 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.16 -0.46 65.81 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.516 ' CZ ' HG21 ' A' ' 16' ' ' ILE . 6.4 m-30 -100.5 -18.86 16.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.862 0.363 . . . . 0.0 110.891 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.22 -21.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.79 -63.71 0.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.857 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -137.69 86.99 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.176 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -142.75 134.81 27.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.93 70.41 10.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.469 ' HB3' ' CD1' ' A' ' 57' ' ' LEU . 0.7 OUTLIER -120.38 114.88 22.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.732 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.8 mmtp -116.31 33.8 5.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -129.31 -33.04 1.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.087 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 mt -123.86 143.36 50.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.473 ' O ' ' CB ' ' A' ' 38' ' ' SER . . . -68.04 -82.87 0.15 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.507 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' A' ' 37' ' ' GLY . 0.2 OUTLIER 162.59 -34.23 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.919 0.39 . . . . 0.0 110.867 -179.787 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.49 ' O ' ' CD2' ' A' ' 39' ' ' LEU . 3.3 tt -89.16 19.93 4.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -110.82 151.58 27.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.081 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.42 ' CG1' HD21 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -120.66 140.9 43.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.062 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.413 ' C ' ' HB ' ' A' ' 3' ' ' THR . . . -142.02 131.46 4.76 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.505 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.535 ' CG ' ' O ' ' A' ' 43' ' ' HIS . 5.4 p80 -102.3 112.2 24.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.815 0.341 . . . . 0.0 110.888 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.459 ' CD1' HD23 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -50.55 118.82 3.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.945 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 69.1 p -76.85 8.2 3.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.122 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.02 -40.8 10.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.591 ' SG ' ' CD2' ' A' ' 49' ' ' HIS . 7.6 p -124.75 -15.63 6.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 1.3 p 84.01 33.46 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.591 ' CD2' ' SG ' ' A' ' 47' ' ' CYS . 7.5 m170 -105.09 137.5 42.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.858 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.601 ' C ' ' CG ' ' A' ' 51' ' ' PHE . . . -111.35 165.39 11.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.672 ' CD2' ' N ' ' A' ' 51' ' ' PHE . 0.0 OUTLIER 172.64 -171.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.871 -179.884 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.507 ' CG ' ' HB2' ' A' ' 14' ' ' CYS . 42.1 m170 -82.4 110.76 17.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.935 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 24.2 mt -40.99 -70.12 0.11 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.545 ' C ' ' CD1' ' A' ' 54' ' ' LEU . 0.1 OUTLIER -39.58 -61.19 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 74.0 m -43.51 -53.1 5.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.657 ' CD1' ' CD2' ' A' ' 51' ' ' PHE . 4.9 mt -60.71 -60.64 3.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 33' ' ' SER . 2.4 tm? -42.51 -35.32 1.03 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.34 -66.34 0.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.049 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.466 ' CE ' ' HB3' ' A' ' 70' ' ' GLN . 0.1 OUTLIER -70.86 -8.51 53.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.886 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.636 ' C ' ' CD1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -59.4 -14.43 12.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.904 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.444 ' N ' ' CD1' ' A' ' 60' ' ' TYR . 0.5 OUTLIER -69.49 -9.92 55.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.849 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -97.41 -59.47 1.78 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 65' ' ' LYS . . . -105.66 -176.78 23.99 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.528 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.447 ' OD1' ' C ' ' A' ' 76' ' ' THR . 3.5 m-20 40.66 -92.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.913 0.387 . . . . 0.0 110.941 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.558 ' HA ' ' CE2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER 58.09 30.82 19.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 179.89 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.444 ' CB ' ' OH ' ' A' ' 2' ' ' TYR . 0.4 OUTLIER -72.85 -14.24 61.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.833 179.896 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.443 ' N ' ' OH ' ' A' ' 2' ' ' TYR . . . 123.85 49.25 0.22 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.458 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.498 ' OG ' ' CZ ' ' A' ' 2' ' ' TYR . 19.5 p -175.52 -63.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.898 0.38 . . . . 0.0 110.878 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.557 ' C ' ' CD2' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -175.66 -173.69 0.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.466 ' HB3' ' CE ' ' A' ' 59' ' ' MET . 0.9 OUTLIER -133.98 152.81 52.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.451 ' C ' ' OE1' ' A' ' 70' ' ' GLN . 8.1 t -99.81 100.59 11.48 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.643 0.735 . . . . 0.0 110.871 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 71' ' ' CYS . 53.8 Cg_endo -69.78 -0.66 7.24 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.665 2.243 . . . . 0.0 112.342 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.18 -53.77 6.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.5 p -130.04 5.68 4.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.856 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.3 mptt 54.24 50.14 17.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.447 ' C ' ' OD1' ' A' ' 64' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.15 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . 0.471 ' HB3' ' CD1' ' A' ' 2' ' ' TYR . 1.4 t-20 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.813 0.34 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.559 ' CE2' ' HB3' ' A' ' 68' ' ' SER . 0.0 OUTLIER -98.33 -15.16 19.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.93 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -104.22 144.89 30.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.112 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -112.55 120.13 40.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -44.97 140.83 2.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.403 ' CD1' ' HG3' ' A' ' 10' ' ' PRO . 8.8 mt -97.99 113.6 25.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.9 mtmt -54.41 -18.32 4.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.475 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 98.9 t -140.52 138.95 19.35 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.588 0.708 . . . . 0.0 111.118 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.475 ' HD2' ' CG1' ' A' ' 8' ' ' VAL . 53.5 Cg_endo -69.77 110.33 2.53 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.674 2.249 . . . . 0.0 112.349 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.403 ' HG3' ' CD1' ' A' ' 6' ' ' LEU . 53.5 Cg_endo -69.79 -163.81 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.68 2.253 . . . . 0.0 112.306 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -120.7 20.89 11.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.792 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -67.67 -37.12 81.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.461 ' CA ' ' HG ' ' A' ' 21' ' ' LEU . 0.6 OUTLIER 65.0 129.09 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.934 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.508 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 36.8 t -42.79 160.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.839 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -121.76 -15.97 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.115 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.501 HG21 ' CE2' ' A' ' 27' ' ' TYR . 66.3 mt -82.14 -70.66 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.461 ' SG ' ' CG ' ' A' ' 19' ' ' GLU . 17.4 p -77.8 -1.76 33.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 55.34 53.59 9.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.461 ' CG ' ' SG ' ' A' ' 17' ' ' CYS . 6.5 mm-40 -128.92 -175.63 3.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.856 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.7 mtmt -79.26 139.81 37.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.461 ' HG ' ' CA ' ' A' ' 13' ' ' ASP . 7.0 mt -64.52 -8.0 12.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.956 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.71 -20.73 13.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.0 p -83.31 35.18 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.101 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.474 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . 51.48 178.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.082 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.71 131.49 34.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -74.71 -10.1 83.0 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.459 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.501 ' CE2' HG21 ' A' ' 16' ' ' ILE . 3.4 m-85 -84.82 -21.23 29.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.87 0.366 . . . . 0.0 110.884 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.1 t -52.16 -17.58 1.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.829 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.5 -51.09 70.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.3 p -123.32 9.26 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.455 ' CG2' ' HB3' ' A' ' 58' ' ' ALA . 1.5 m -119.81 100.37 7.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -100.97 81.89 2.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.482 ' CB ' ' CD2' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -48.55 174.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.778 -179.733 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.1 pttt -134.16 1.95 3.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.921 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -128.5 -49.21 1.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.599 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -101.28 -171.86 2.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.42 161.71 27.32 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.468 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.28 -3.58 31.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.846 0.355 . . . . 0.0 110.803 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.61 12.2 16.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -113.75 121.17 43.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.064 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.3 t -99.94 113.42 35.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.212 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -125.27 145.77 15.85 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.45 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 -121.21 123.27 41.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.86 0.362 . . . . 0.0 110.857 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.05 124.92 20.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.952 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.2 p -79.1 9.6 4.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.52 -40.75 14.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.586 ' SG ' ' CD2' ' A' ' 49' ' ' HIS . 7.6 p -124.46 -16.42 6.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 0.9 OUTLIER 83.37 38.86 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.785 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.586 ' CD2' ' SG ' ' A' ' 47' ' ' CYS . 7.6 m170 -109.85 133.6 52.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.598 ' C ' ' CG ' ' A' ' 51' ' ' PHE . . . -106.71 164.35 12.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.657 ' CD2' ' N ' ' A' ' 51' ' ' PHE . 0.0 OUTLIER 171.22 -170.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.805 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.508 ' CE1' ' HB2' ' A' ' 14' ' ' CYS . 32.4 m170 -81.07 108.73 14.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.84 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.427 ' HB3' ' CB ' ' A' ' 36' ' ' LEU . 34.8 mt -43.24 -47.42 6.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 55' ' ' CYS . 0.0 OUTLIER -60.0 -69.0 0.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.856 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.426 ' C ' ' O ' ' A' ' 54' ' ' LEU . 90.1 m -36.61 -48.8 0.72 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.814 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.643 ' CD1' ' CD2' ' A' ' 51' ' ' PHE . 3.0 mt -65.53 -57.87 7.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.927 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -43.33 -31.26 0.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.455 ' HB3' ' CG2' ' A' ' 31' ' ' THR . . . -66.67 -66.31 0.57 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -72.24 -8.44 54.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.592 ' C ' ' CD1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -58.92 -19.05 39.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.9 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.497 ' N ' ' CD1' ' A' ' 60' ' ' TYR . 0.5 OUTLIER -60.12 -13.82 13.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -97.45 -63.61 1.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 65' ' ' LYS . . . -85.83 169.46 42.6 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.49 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 40.18 -92.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.899 0.38 . . . . 0.0 110.917 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.566 ' HA ' ' CE2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER 66.43 31.86 7.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.435 ' CB ' ' OH ' ' A' ' 2' ' ' TYR . 1.6 m-20 -80.85 -21.7 40.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.548 ' N ' ' HH ' ' A' ' 2' ' ' TYR . . . 132.2 52.64 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.51 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.559 ' HB3' ' CE2' ' A' ' 2' ' ' TYR . 1.1 t -171.33 -71.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.365 . . . . 0.0 110.83 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.55 ' C ' ' CD2' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -177.71 -174.69 0.47 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.964 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.471 ' HG2' ' N ' ' A' ' 71' ' ' CYS . 6.7 tt0 -132.14 150.99 52.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.471 ' N ' ' HG2' ' A' ' 70' ' ' GLN . 8.9 t -97.94 102.52 13.82 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.648 0.737 . . . . 0.0 110.866 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.468 ' HG3' ' CG1' ' A' ' 16' ' ' ILE . 53.6 Cg_endo -69.82 -10.27 28.1 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.67 2.247 . . . . 0.0 112.335 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.47 -60.31 2.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.5 p -122.01 20.38 10.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.12 66.39 1.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.916 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . 0.509 ' HB3' ' CD1' ' A' ' 2' ' ' TYR . 7.2 m120 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.804 0.335 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.565 ' CE2' ' HB2' ' A' ' 68' ' ' SER . 0.0 OUTLIER -101.4 -19.23 15.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.912 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.422 ' HB ' ' N ' ' A' ' 43' ' ' HIS . 0.1 OUTLIER -115.97 141.45 48.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.175 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 5' ' ' GLU . 33.6 tt0 -103.84 98.49 8.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 4' ' ' GLU . 14.1 tt0 -35.08 109.41 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.928 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.445 ' N ' ' CD2' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -68.45 -11.88 60.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.932 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.417 ' C ' HG21 ' A' ' 8' ' ' VAL . 0.2 OUTLIER 65.62 4.97 3.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 179.891 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.445 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -172.06 166.34 3.75 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.613 0.72 . . . . 0.0 111.18 179.867 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.445 ' HD2' ' CB ' ' A' ' 8' ' ' VAL . 53.6 Cg_endo -69.84 131.74 21.76 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.668 2.245 . . . . 0.0 112.328 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -90.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.64 2.227 . . . . 0.0 112.373 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.0 p30 174.77 52.28 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.51 ' O ' ' CB ' ' A' ' 13' ' ' ASP . 30.2 mp0 -144.05 -97.48 0.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 4.1 m-20 159.68 144.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.845 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.3 t -53.65 158.43 1.88 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.86 -18.54 7.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.149 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.47 ' CG2' ' CE1' ' A' ' 27' ' ' TYR . 68.1 mt -83.52 -70.75 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 14.6 p -81.47 3.02 26.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 43.14 64.76 1.11 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -137.92 -172.93 3.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -73.33 123.03 22.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.421 ' HG ' ' C ' ' A' ' 13' ' ' ASP . 7.6 mt -57.91 -11.76 2.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.987 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.6 t -93.37 -41.22 9.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 33.7 p -51.6 -89.01 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.178 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 174.22 171.01 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.084 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.4 t -67.83 121.27 15.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -70.09 -6.46 56.91 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.521 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.47 ' CE1' ' CG2' ' A' ' 16' ' ' ILE . 8.5 m-30 -92.23 -11.81 34.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.889 0.376 . . . . 0.0 110.899 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.1 -26.04 0.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.823 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -45.56 -47.44 14.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -163.95 84.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.24 -7.94 12.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.9 t70 67.25 24.78 9.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.822 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.46 -65.6 0.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.3 mtmt 39.89 39.85 0.64 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.897 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -136.88 -48.39 0.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.068 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.459 HD11 ' CD2' ' A' ' 57' ' ' LEU . 6.5 mp -62.61 -9.8 10.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.93 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.76 -8.35 66.26 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.514 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.414 ' CB ' HD21 ' A' ' 54' ' ' LEU . 78.1 p 52.0 69.79 0.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.822 0.344 . . . . 0.0 110.786 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.8 tp 174.31 -27.5 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.59 129.95 44.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.015 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -102.31 127.26 56.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.16 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.4 ' HA3' ' CD2' ' A' ' 53' ' ' LEU . . . -123.58 149.04 16.85 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.474 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.559 ' CE1' ' HB3' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -124.51 95.72 4.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.828 0.347 . . . . 0.0 110.9 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.531 ' CD1' ' CD2' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -53.34 89.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.945 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.414 ' N ' ' O ' ' A' ' 43' ' ' HIS . 11.9 p -45.63 -21.18 0.09 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.128 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.39 -46.63 47.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.594 ' SG ' ' CD2' ' A' ' 49' ' ' HIS . 7.7 p -125.07 -14.79 6.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.829 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 1.5 t 84.53 34.34 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.594 ' CD2' ' SG ' ' A' ' 47' ' ' CYS . 6.4 m170 -107.91 120.78 43.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.602 ' C ' ' CG ' ' A' ' 51' ' ' PHE . . . -96.01 164.35 12.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.676 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 0.0 OUTLIER 174.63 -169.83 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.812 -179.916 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -82.7 105.95 14.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.4 ' CD2' ' HA3' ' A' ' 42' ' ' GLY . 79.8 mt -42.18 -38.26 1.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.42 ' C ' HD12 ' A' ' 54' ' ' LEU . 0.3 OUTLIER -64.72 -68.61 0.34 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 179.884 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.451 ' CB ' HD11 ' A' ' 16' ' ' ILE . 69.4 m -41.51 -41.38 2.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.646 ' CD1' ' CD1' ' A' ' 51' ' ' PHE . 7.4 mt -70.33 -58.12 4.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.459 ' CD2' HD11 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -45.49 -23.19 0.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.21 -66.35 0.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.077 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -70.41 -10.91 60.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.567 ' CE1' ' HA ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -56.94 -26.65 59.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.873 -179.825 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.565 ' N ' ' CD2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -45.83 -21.48 0.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.921 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -97.46 -61.73 1.35 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 65' ' ' LYS . . . -58.46 -152.52 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.509 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 76' ' ' THR . 0.7 OUTLIER -52.97 84.83 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.868 0.366 . . . . 0.0 110.887 -179.895 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.567 ' HA ' ' CE1' ' A' ' 60' ' ' TYR . 13.8 ttpt -85.3 79.26 9.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.943 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -130.06 31.99 4.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 75.26 62.02 2.85 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.501 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.565 ' HB2' ' CE2' ' A' ' 2' ' ' TYR . 8.2 m -165.83 -95.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.867 0.365 . . . . 0.0 110.881 -179.732 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.56 ' C ' ' CD2' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -171.97 -173.7 1.18 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.457 ' HG2' ' N ' ' A' ' 71' ' ' CYS . 47.1 tt0 -136.44 155.1 50.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.457 ' N ' ' HG2' ' A' ' 70' ' ' GLN . 11.9 t -101.28 100.73 14.28 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.615 0.721 . . . . 0.0 110.906 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.469 ' HG3' ' CG1' ' A' ' 16' ' ' ILE . 54.4 Cg_endo -69.72 -5.15 15.49 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.687 2.258 . . . . 0.0 112.377 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.59 -57.93 3.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.797 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.5 p -125.02 12.43 8.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt 63.03 80.82 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.499 ' O ' ' ND2' ' A' ' 64' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.092 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.819 0.343 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.564 ' CE1' ' HB2' ' A' ' 68' ' ' SER . 0.0 OUTLIER -101.37 7.17 42.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.06 119.55 23.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.146 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.29 111.45 15.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -44.12 148.96 0.37 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.565 HD12 ' CE1' ' A' ' 43' ' ' HIS . 5.7 mt -104.22 -5.05 22.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.496 ' O ' ' CG1' ' A' ' 8' ' ' VAL . 0.3 OUTLIER 62.37 8.05 2.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 179.819 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.496 ' CG1' ' O ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER 172.35 162.34 0.26 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.631 0.729 . . . . 0.0 111.166 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 128.93 16.7 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.736 2.291 . . . . 0.0 112.277 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -90.94 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.649 2.233 . . . . 0.0 112.31 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.3 p30 175.57 41.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.503 ' O ' ' CB ' ' A' ' 13' ' ' ASP . 0.8 OUTLIER -112.97 -96.96 0.43 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.926 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 0.4 OUTLIER 159.81 145.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.48 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 48.7 t -70.88 141.1 51.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -96.6 -23.72 4.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.568 HG22 ' CE2' ' A' ' 27' ' ' TYR . 13.7 mt -79.64 -70.56 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.411 ' SG ' ' CB ' ' A' ' 19' ' ' GLU . 14.5 p -79.93 12.51 2.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' ' 17' ' ' CYS . 3.8 mtp 37.72 38.37 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.411 ' CB ' ' SG ' ' A' ' 17' ' ' CYS . 2.1 tp10 -116.14 150.7 37.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -47.87 138.95 8.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.468 ' HG ' ' CA ' ' A' ' 13' ' ' ASP . 6.2 mt -64.25 -12.74 44.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.56 -20.32 19.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.991 0.424 . . . . 0.0 110.869 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.9 p -83.47 22.37 1.06 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.089 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 56.8 -178.54 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.18 119.31 14.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.806 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -69.86 -21.42 76.66 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.568 ' CE2' HG22 ' A' ' 16' ' ' ILE . 7.4 m-30 -80.52 -10.74 59.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.929 0.395 . . . . 0.0 110.978 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.7 t -43.21 -27.61 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.849 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.2 -43.65 70.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.7 t -102.89 -46.0 10.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 31.0 p -71.89 101.4 2.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.15 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -107.42 52.8 0.71 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.8 p -72.41 136.48 46.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -92.09 -6.11 51.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.946 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -93.02 -37.77 12.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.563 ' N ' ' CD2' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -74.19 -70.52 0.39 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.941 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.65 -14.19 27.27 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.481 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 63.83 23.39 13.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.884 0.373 . . . . 0.0 110.873 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -155.15 38.28 0.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.951 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -139.8 119.83 13.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.178 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -109.5 140.17 29.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.087 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -157.04 128.72 2.22 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.49 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.565 ' CE1' HD12 ' A' ' 6' ' ' LEU . 1.0 OUTLIER -75.42 143.47 42.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.858 0.361 . . . . 0.0 110.914 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 48' ' ' SER . 0.2 OUTLIER -80.99 103.6 10.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.854 -179.88 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 68.8 p -38.54 -35.39 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.444 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 5.9 mttm -51.1 -47.29 61.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.457 ' O ' ' CB ' ' A' ' 48' ' ' SER . 31.3 p -127.11 -46.86 1.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 44' ' ' LEU . 0.3 OUTLIER 79.62 73.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.825 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.573 ' HB2' ' CE2' ' A' ' 51' ' ' PHE . 31.0 m170 -114.73 -25.23 8.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.924 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.594 ' C ' ' CG ' ' A' ' 51' ' ' PHE . . . 83.74 133.06 0.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.706 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -173.8 173.54 3.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.48 ' CE1' ' HB2' ' A' ' 14' ' ' CYS . 28.8 m170 -82.69 97.32 8.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 52' ' ' HIS . 35.9 mt -36.25 -43.65 0.37 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.872 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.463 ' N ' HD12 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -57.9 -70.2 0.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.856 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.419 ' C ' HD11 ' A' ' 16' ' ' ILE . 63.3 m -43.97 -29.46 0.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.48 HD11 ' N ' ' A' ' 56' ' ' LEU . 8.7 mp -81.12 -38.7 26.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.965 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.7 tp -60.3 -10.58 4.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -93.0 -36.54 12.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.466 ' CE ' ' HB3' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -99.1 -8.52 25.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.566 ' CE1' ' HA ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -64.41 -25.82 68.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 -179.837 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.435 ' N ' ' CD2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -53.42 -15.56 1.09 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -97.51 -67.54 0.84 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 65' ' ' LYS . . . -77.71 176.01 54.0 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.456 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 38.94 -92.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.935 0.398 . . . . 0.0 110.841 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.566 ' HA ' ' CE1' ' A' ' 60' ' ' TYR . 0.5 OUTLIER 70.22 119.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 177.73 -32.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.862 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 143.67 40.65 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.462 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.564 ' HB2' ' CE1' ' A' ' 2' ' ' TYR . 58.5 m -157.3 -94.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.826 0.346 . . . . 0.0 110.84 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.544 ' C ' ' CD2' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -164.41 -172.07 2.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.989 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.466 ' HB3' ' CE ' ' A' ' 59' ' ' MET . 2.4 tt0 -144.1 148.25 34.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.942 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.446 ' N ' ' HG2' ' A' ' 70' ' ' GLN . 5.5 t -80.65 111.28 21.72 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.646 0.736 . . . . 0.0 110.879 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 -7.95 22.36 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.651 2.234 . . . . 0.0 112.346 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.31 -87.79 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 18.5 p -86.81 28.81 0.85 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt 45.65 33.66 1.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.436 HG21 ' CB ' ' A' ' 46' ' ' LYS . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.173 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.792 0.33 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.597 ' CD2' ' N ' ' A' ' 2' ' ' TYR . 0.0 OUTLIER -92.13 15.4 13.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 -179.861 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.4 p -124.23 155.88 37.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.178 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -128.86 120.55 26.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.42 ' C ' HD22 ' A' ' 6' ' ' LEU . 2.9 tt0 -46.55 142.62 3.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.42 HD22 ' C ' ' A' ' 5' ' ' GLU . 4.9 mt -112.65 127.3 56.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.967 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? -65.1 -17.8 64.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -144.98 147.61 35.48 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.595 0.712 . . . . 0.0 111.178 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.8 125.23 11.88 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.695 2.263 . . . . 0.0 112.338 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.441 ' HG2' ' CD1' ' A' ' 21' ' ' LEU . 54.3 Cg_endo -69.71 -163.8 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.662 2.241 . . . . 0.0 112.357 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.465 ' OD1' ' N ' ' A' ' 11' ' ' ASP . 10.8 p-10 -119.73 90.89 3.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -170.82 -33.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.443 ' CA ' ' HG ' ' A' ' 21' ' ' LEU . 1.6 m-20 65.97 142.59 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.56 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 49.5 t -40.4 161.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.469 ' CG1' ' HG2' ' A' ' 72' ' ' PRO . 0.0 OUTLIER -119.18 -21.47 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.49 ' CG2' ' CE2' ' A' ' 27' ' ' TYR . 44.8 mt -76.73 -66.57 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.147 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 14.5 p -91.28 12.41 20.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 19.0 mmm 38.67 73.85 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -143.76 169.43 17.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.81 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.76 123.85 19.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.466 HD21 ' CA ' ' A' ' 51' ' ' PHE . 5.5 mt -61.13 -9.96 5.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 p -92.43 -41.38 10.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.426 ' CG2' ' N ' ' A' ' 24' ' ' ALA . 21.9 m -54.87 -89.86 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.177 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.426 ' N ' ' CG2' ' A' ' 23' ' ' THR . . . 172.7 158.43 0.11 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.107 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -42.15 146.42 0.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -87.32 -34.06 11.02 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.469 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.49 ' CE2' ' CG2' ' A' ' 16' ' ' ILE . 14.6 m-30 -78.77 1.74 22.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.903 0.382 . . . . 0.0 110.971 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.7 t -39.74 -29.35 0.06 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.839 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -48.06 -52.58 19.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.475 ' O ' ' CG1' ' A' ' 30' ' ' VAL . 13.7 p -176.8 90.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.132 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.468 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 0.2 OUTLIER -100.61 -74.92 0.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.468 ' CB ' ' O ' ' A' ' 31' ' ' THR . 1.8 m-20 162.69 35.51 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.821 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.7 m -113.1 149.6 33.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -134.82 1.77 3.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -123.93 -39.83 2.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.15 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.46 ' CD1' HD23 ' A' ' 57' ' ' LEU . 2.1 mt -77.5 -44.58 28.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 40.38 27.56 0.16 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.486 ' O ' ' CB ' ' A' ' 39' ' ' LEU . 9.4 p 61.08 174.91 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.864 0.364 . . . . 0.0 110.897 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.486 ' CB ' ' O ' ' A' ' 38' ' ' SER . 0.3 OUTLIER 82.85 29.97 0.09 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.462 ' CB ' HD11 ' A' ' 53' ' ' LEU . . . -154.33 123.54 6.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.088 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.9 t -109.5 121.98 63.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -137.87 118.01 1.58 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.455 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.553 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 2.3 p-80 -78.62 140.06 38.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.831 0.348 . . . . 0.0 110.825 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -72.57 97.74 2.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.966 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 44' ' ' LEU . 80.3 p -35.48 -31.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 44' ' ' LEU . 18.4 tptt -49.68 -59.04 4.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.5 ' SG ' ' CD2' ' A' ' 49' ' ' HIS . 28.4 p -118.12 -33.59 4.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.07 79.16 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.841 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.603 ' HB2' ' CE1' ' A' ' 51' ' ' PHE . 26.4 m170 -116.17 -30.56 5.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.842 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.61 ' C ' ' CG ' ' A' ' 51' ' ' PHE . . . 84.31 138.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.137 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.61 ' CG ' ' C ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -169.98 -159.88 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 -179.881 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.56 ' CE1' ' HB2' ' A' ' 14' ' ' CYS . 39.0 m170 -108.44 102.33 11.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.462 HD11 ' CB ' ' A' ' 40' ' ' ALA . 28.2 mt -35.75 -65.66 0.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.525 ' C ' ' CD1' ' A' ' 54' ' ' LEU . 0.3 OUTLIER -44.26 -44.7 8.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.872 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.469 ' HB3' ' CD1' ' A' ' 16' ' ' ILE . 84.8 m -63.86 -50.4 68.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.573 HD13 ' CD2' ' A' ' 51' ' ' PHE . 14.4 mt -52.67 -43.44 65.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.46 HD23 ' CD1' ' A' ' 36' ' ' LEU . 8.2 tp -58.51 -11.05 2.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.452 ' CB ' HG21 ' A' ' 31' ' ' THR . . . -93.44 -35.18 13.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.064 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.46 ' CE ' ' HB3' ' A' ' 70' ' ' GLN . 1.8 ppp? -99.3 -8.42 24.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.566 ' CE1' ' HA ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -75.11 -15.48 60.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.984 -179.916 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 26.9 p -63.81 -11.29 25.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -97.43 -59.32 1.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 64' ' ' ASN . . . -113.97 -176.74 19.19 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.449 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.537 ' O ' ' CE1' ' A' ' 60' ' ' TYR . 5.5 m-20 34.39 56.66 0.67 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.903 0.383 . . . . 0.0 110.903 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.566 ' HA ' ' CE1' ' A' ' 60' ' ' TYR . 0.1 OUTLIER -86.05 31.5 0.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.441 ' CB ' ' OH ' ' A' ' 2' ' ' TYR . 0.1 OUTLIER -63.43 -54.77 31.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 155.84 33.53 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.456 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.536 ' OG ' ' CE2' ' A' ' 2' ' ' TYR . 5.3 m -145.77 -71.95 0.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.812 0.339 . . . . 0.0 110.832 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.564 ' HA ' ' CD1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER 178.44 -172.58 0.13 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.492 ' OE1' ' ND2' ' A' ' 64' ' ' ASN . 4.1 tp60 -133.54 157.47 45.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 41.0 t -85.61 110.39 29.32 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.652 0.739 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.571 ' HD2' ' CD1' ' A' ' 51' ' ' PHE . 53.1 Cg_endo -69.83 -8.77 24.45 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.6 2.2 . . . . 0.0 112.349 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.405 ' HB3' ' ND1' ' A' ' 49' ' ' HIS . 9.5 t -82.62 -71.77 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.868 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.5 ' O ' ' N ' ' A' ' 76' ' ' THR . 18.4 p -111.39 38.48 2.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.944 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 74' ' ' CYS . 61.9 mmtt 34.64 32.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.818 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.5 ' N ' ' O ' ' A' ' 74' ' ' CYS . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.118 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . 0.401 ' ND2' ' N ' ' A' ' 1' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.844 0.354 . . . . 0.0 110.858 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.561 ' CE1' ' HB3' ' A' ' 68' ' ' SER . 1.7 m-85 -92.28 -19.22 22.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.418 ' HB ' ' C ' ' A' ' 43' ' ' HIS . 0.5 OUTLIER -120.86 170.81 9.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.161 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 5' ' ' GLU . 0.0 OUTLIER -139.15 121.39 15.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 4' ' ' GLU . 5.8 tt0 -35.04 141.18 0.07 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.885 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.0 mt -99.95 -10.6 21.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 64.7 5.97 3.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.463 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 4.4 p -170.4 138.8 1.38 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.626 0.727 . . . . 0.0 111.167 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.463 ' HD2' ' CG2' ' A' ' 8' ' ' VAL . 54.2 Cg_endo -69.75 110.32 2.52 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.686 2.257 . . . . 0.0 112.346 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 9' ' ' PRO . 53.9 Cg_endo -69.68 -165.52 0.15 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.763 2.309 . . . . 0.0 112.354 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.87 54.01 0.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.426 ' CB ' ' CB ' ' A' ' 50' ' ' ALA . 10.2 mm-40 -111.31 -37.12 5.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.849 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.401 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 7.9 t70 76.55 127.84 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.824 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.466 ' N ' ' HG ' ' A' ' 21' ' ' LEU . 11.4 t -55.58 165.55 0.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.471 ' CG1' ' HG2' ' A' ' 72' ' ' PRO . 0.0 OUTLIER -120.66 -9.93 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.116 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.427 HG22 ' CZ ' ' A' ' 27' ' ' TYR . 0.6 OUTLIER -88.08 -65.97 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.872 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 28.0 p -85.83 8.18 21.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 2.6 mmm 41.17 41.14 1.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -119.22 155.76 31.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.39 121.65 8.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.933 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.466 ' HG ' ' N ' ' A' ' 14' ' ' CYS . 5.9 mt -51.87 -16.67 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.877 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.452 ' HA ' ' CB ' ' A' ' 9' ' ' PRO . 18.9 t -75.63 -48.73 20.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 38.4 p -51.17 -89.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.111 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 175.4 179.34 0.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.08 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.1 t -71.91 110.59 6.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.96 -15.02 59.75 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.519 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.434 ' HB3' ' CG2' ' A' ' 31' ' ' THR . 3.5 m-30 -79.42 -14.85 58.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.925 0.393 . . . . 0.0 110.956 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.0 t -46.73 -24.23 0.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.849 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.73 -40.27 91.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.934 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.23 -57.53 4.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.499 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 73.2 p -50.14 -71.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 31' ' ' THR . 3.0 t70 82.91 -50.88 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 32' ' ' ASP . 9.3 t 34.4 86.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.796 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.2 mttp -69.09 -1.73 8.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.797 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -88.48 -48.23 7.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.119 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.446 ' CD1' ' HA ' ' A' ' 54' ' ' LEU . 71.2 mt -78.77 -63.33 1.44 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.864 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.422 ' O ' ' CB ' ' A' ' 38' ' ' SER . . . 122.09 -19.84 8.17 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.497 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 37' ' ' GLY . 1.4 p 78.07 20.91 0.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.936 0.398 . . . . 0.0 110.841 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -145.93 28.31 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.916 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.433 ' O ' ' CD1' ' A' ' 53' ' ' LEU . . . -121.95 102.33 8.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 179.746 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 38.6 t -96.9 137.51 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.184 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -163.04 116.94 0.74 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.467 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.426 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 0.3 OUTLIER -61.51 137.63 58.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.879 0.371 . . . . 0.0 110.851 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.461 ' CD2' ' HB2' ' A' ' 2' ' ' TYR . 0.0 OUTLIER -71.26 103.28 2.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.493 ' N ' ' O ' ' A' ' 2' ' ' TYR . 31.7 p -41.99 -28.94 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.161 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.68 -68.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 48' ' ' SER . 26.6 p -96.76 -37.89 10.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.812 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 0.3 OUTLIER 82.96 67.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.821 -179.857 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.58 ' HB2' ' CZ ' ' A' ' 51' ' ' PHE . 25.3 m170 -114.36 -101.14 0.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.936 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.6 ' O ' ' CD1' ' A' ' 51' ' ' PHE . . . 159.18 131.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.601 ' CE1' ' SG ' ' A' ' 71' ' ' CYS . 0.0 OUTLIER -170.29 -172.29 1.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.879 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.444 ' O ' ' N ' ' A' ' 54' ' ' LEU . 23.4 m170 -98.59 101.92 13.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.822 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.433 ' CD1' ' O ' ' A' ' 40' ' ' ALA . 72.8 mt -35.99 -32.89 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.446 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -68.97 -61.26 1.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 34.8 m -51.48 -30.63 20.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.803 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.565 HD13 ' CD2' ' A' ' 51' ' ' PHE . 5.5 mt -73.07 -57.37 4.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.842 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.46 -20.6 0.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.404 ' N ' ' C ' ' A' ' 56' ' ' LEU . . . -81.14 -64.0 1.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.189 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.441 ' CE ' ' HB3' ' A' ' 70' ' ' GLN . 1.0 OUTLIER -72.04 -8.52 55.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 179.869 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.568 ' CD1' ' HA ' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -62.95 -18.47 63.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.853 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -9.35 4.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.411 ' OD1' ' C ' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -91.46 -51.88 5.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -137.34 -172.12 12.42 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.46 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 50.2 34.21 8.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.819 0.343 . . . . 0.0 110.858 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.512 ' HA ' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -79.96 102.1 9.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.879 179.923 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.444 ' CB ' ' OH ' ' A' ' 2' ' ' TYR . 0.2 OUTLIER -159.81 -46.45 0.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.846 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 68' ' ' SER . . . 165.78 75.32 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.506 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.561 ' HB3' ' CE1' ' A' ' 2' ' ' TYR . 2.3 t 160.87 -94.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.863 0.364 . . . . 0.0 110.891 -179.702 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.582 ' C ' ' CD2' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -174.21 -173.4 0.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.441 ' HB3' ' CE ' ' A' ' 59' ' ' MET . 66.5 tt0 -119.1 157.67 27.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.918 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.601 ' SG ' ' CE1' ' A' ' 51' ' ' PHE . 33.9 t -90.98 115.65 64.75 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.6 0.714 . . . . 0.0 110.864 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.471 ' HG2' ' CG1' ' A' ' 15' ' ' ILE . 54.2 Cg_endo -69.75 -14.4 36.06 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.365 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.427 ' HB3' ' ND1' ' A' ' 49' ' ' HIS . 8.7 t -78.0 -71.76 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.814 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 76' ' ' THR . 26.4 p -110.27 39.35 2.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 41.05 24.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 74' ' ' CYS . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.142 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.882 0.372 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.56 ' CD1' ' N ' ' A' ' 2' ' ' TYR . 0.0 OUTLIER -114.06 -21.91 10.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.942 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -114.41 157.31 23.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.114 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 5' ' ' GLU . 0.4 OUTLIER -122.66 115.87 22.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.2 OUTLIER -36.31 145.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 8' ' ' VAL . 8.1 mt -113.29 117.64 32.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.73 -23.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -150.74 148.87 24.33 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.591 0.71 . . . . 0.0 111.152 179.846 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 127.5 14.68 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.633 2.222 . . . . 0.0 112.363 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.443 ' HG2' ' CD1' ' A' ' 21' ' ' LEU . 53.8 Cg_endo -69.72 -163.9 0.12 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.729 2.286 . . . . 0.0 112.34 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -125.98 49.89 1.92 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.919 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -103.09 -28.21 12.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 75.13 127.37 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.814 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 51.4 t -52.14 144.55 12.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -101.38 -18.8 6.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.161 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.455 HG22 ' CZ ' ' A' ' 27' ' ' TYR . 0.8 OUTLIER -77.89 -70.49 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.128 179.87 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.4 p -79.28 -1.79 38.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 8.6 mtp 56.37 39.8 29.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -117.36 171.97 7.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.844 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.44 ' CD ' ' N ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -65.67 139.5 58.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.959 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.443 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 7.4 mt -71.25 0.5 7.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 p -109.49 -0.13 19.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.4 m -111.22 34.02 4.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.197 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 53.51 -179.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.08 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.417 ' HA ' ' ND1' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -74.7 142.29 44.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.83 -179.787 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -85.91 -18.4 59.73 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.501 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.455 ' CZ ' HG22 ' A' ' 16' ' ' ILE . 8.4 m-30 -82.54 -13.38 56.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.813 0.34 . . . . 0.0 110.924 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.457 ' HB2' ' CB ' ' A' ' 38' ' ' SER . 0.1 OUTLIER -36.85 -39.82 0.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.819 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -60.5 -48.41 81.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.847 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 27' ' ' TYR . 95.4 t -83.06 -71.91 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.485 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 21.4 p -46.31 -74.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.151 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.485 ' CB ' ' O ' ' A' ' 31' ' ' THR . 6.6 t0 82.28 -40.29 0.11 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.838 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 32' ' ' ASP . 5.2 m 32.72 -148.83 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.944 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.29 -44.69 0.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.35 -72.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.554 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -59.98 -35.03 74.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.47 13.29 10.8 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.43 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.457 ' CB ' ' HB2' ' A' ' 28' ' ' SER . 2.0 t 65.05 46.23 2.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.952 0.406 . . . . 0.0 110.824 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -165.95 48.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.957 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -155.22 122.62 5.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.08 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.5 t -114.18 129.84 69.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.091 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -160.44 121.55 1.04 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.57 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 40.8 p-80 -67.76 147.19 52.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.877 0.37 . . . . 0.0 110.806 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -76.14 97.13 4.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.956 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.494 ' CG2' ' O ' ' A' ' 2' ' ' TYR . 50.3 p -34.53 -32.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.154 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 44' ' ' LEU . 8.4 tptt -47.71 -63.94 0.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.485 ' O ' ' CB ' ' A' ' 48' ' ' SER . 17.8 p -106.11 -34.1 7.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 3.0 t 82.7 64.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.515 ' O ' ' CB ' ' A' ' 50' ' ' ALA . 26.3 m170 -109.1 -100.35 0.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.603 ' C ' ' CG ' ' A' ' 51' ' ' PHE . . . 159.59 135.61 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.603 ' CG ' ' C ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -176.64 168.72 2.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.567 ' CE1' ' HB2' ' A' ' 14' ' ' CYS . 31.3 m170 -80.57 100.7 8.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.82 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 52' ' ' HIS . 42.7 mt -36.23 -30.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.504 ' C ' ' CD1' ' A' ' 54' ' ' LEU . 0.3 OUTLIER -74.19 -66.68 0.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.909 179.881 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 99.3 m -45.76 -33.66 3.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.512 HD12 ' CG ' ' A' ' 51' ' ' PHE . 17.0 mt -72.73 -55.92 6.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.467 ' CD1' HD21 ' A' ' 36' ' ' LEU . 2.5 tt -41.72 -23.91 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.965 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 56' ' ' LEU . . . -70.94 -65.98 0.67 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.07 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.405 ' CE ' ' HB3' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -76.0 -8.46 57.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.585 ' CD2' ' N ' ' A' ' 61' ' ' CYS . 0.0 OUTLIER -61.22 -29.81 70.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.883 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.585 ' N ' ' CD2' ' A' ' 60' ' ' TYR . 1.0 OUTLIER -57.28 -13.87 3.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -80.16 -51.48 8.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 64' ' ' ASN . . . -145.43 174.02 25.6 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.416 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.445 ' HB2' ' NE2' ' A' ' 70' ' ' GLN . 55.1 t30 38.04 50.82 1.39 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.915 0.388 . . . . 0.0 110.907 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.572 ' HA ' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -116.06 97.47 6.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -125.62 -13.12 6.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.816 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.487 ' N ' ' HH ' ' A' ' 2' ' ' TYR . . . 147.87 44.18 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.498 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.513 ' HB2' ' CZ ' ' A' ' 2' ' ' TYR . 0.6 OUTLIER -165.59 -86.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.901 0.382 . . . . 0.0 110.881 -179.708 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.565 ' C ' ' CD2' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -177.73 -173.37 0.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.445 ' NE2' ' HB2' ' A' ' 64' ' ' ASN . 4.4 tp60 -129.05 156.01 44.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.979 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 15.9 t -91.33 107.58 22.59 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.605 0.717 . . . . 0.0 110.834 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 3.09 2.99 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.737 2.291 . . . . 0.0 112.314 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.94 -84.08 0.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 75' ' ' LYS . 14.5 p -97.39 29.86 3.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 74' ' ' CYS . 10.7 mmtm 33.98 42.38 0.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.443 ' O ' ' CG2' ' A' ' 76' ' ' THR . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.782 0.325 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.597 ' CE1' ' CB ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -111.71 -12.05 13.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.875 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -106.88 121.05 43.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.189 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 5' ' ' GLU . 62.3 tt0 -94.12 105.43 17.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 4' ' ' GLU . 8.5 tt0 -35.05 133.0 0.32 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.3 OUTLIER -88.72 104.2 16.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 6' ' ' LEU . 0.3 OUTLIER -34.21 -34.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.958 179.816 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.474 ' N ' ' O ' ' A' ' 6' ' ' LEU . 19.6 m -129.8 152.5 79.96 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.622 0.725 . . . . 0.0 111.147 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.71 140.03 41.86 Favored 'Trans proline' 0 N--CA 1.464 -0.219 0 C-N-CA 122.718 2.279 . . . . 0.0 112.378 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.498 ' O ' ' CB ' ' A' ' 11' ' ' ASP . 53.3 Cg_endo -69.8 -34.55 14.22 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.691 2.26 . . . . 0.0 112.379 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER 82.84 38.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.887 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.448 ' O ' ' CB ' ' A' ' 13' ' ' ASP . 1.5 mm-40 -103.67 -94.65 0.32 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.916 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.448 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 0.3 OUTLIER 163.5 116.73 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.478 ' N ' ' O ' ' A' ' 19' ' ' GLU . 36.4 t -37.77 156.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.71 -20.51 6.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.094 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.453 ' CD1' ' HG3' ' A' ' 72' ' ' PRO . 0.4 OUTLIER -80.29 -70.12 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.077 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 18' ' ' MET . 14.7 p -85.0 18.73 2.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.441 ' C ' ' O ' ' A' ' 17' ' ' CYS . 0.8 OUTLIER 35.32 71.17 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 14' ' ' CYS . 25.3 mm-40 -145.8 -176.84 5.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.8 mttp -77.28 132.53 38.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.936 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.405 ' HA ' ' NE2' ' A' ' 52' ' ' HIS . 7.7 mt -69.15 -4.23 16.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.876 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.48 -12.84 19.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.463 ' CG2' ' N ' ' A' ' 24' ' ' ALA . 18.5 m -83.07 -91.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.117 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.463 ' N ' ' CG2' ' A' ' 23' ' ' THR . . . -175.77 169.08 3.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.105 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.467 ' CB ' ' HB3' ' A' ' 54' ' ' LEU . 0.1 OUTLIER -70.68 128.19 35.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.82 -179.71 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.15 -33.88 84.5 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.528 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.485 ' O ' ' N ' ' A' ' 29' ' ' ASP . 7.3 m-85 -67.82 -21.59 65.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.859 0.361 . . . . 0.0 110.921 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.1 p -39.23 -25.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.815 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.493 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -46.62 -64.46 0.76 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.493 ' CG2' ' O ' ' A' ' 29' ' ' ASP . 3.4 t -167.92 90.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.132 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.485 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 1.5 t -106.62 -26.52 11.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.097 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.485 ' CB ' ' O ' ' A' ' 31' ' ' THR . 4.2 t0 82.44 34.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.853 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.465 ' CB ' HD21 ' A' ' 36' ' ' LEU . 51.4 m -85.02 150.8 24.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.504 ' O ' ' CB ' ' A' ' 35' ' ' ALA . 34.1 tttp -44.1 -54.11 5.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.864 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 34' ' ' LYS . . . 160.95 95.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.066 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.55 ' N ' ' CD2' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -142.07 110.5 6.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 36' ' ' LEU . . . -37.04 146.38 0.08 OUTLIER Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.428 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.28 11.49 9.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.911 0.386 . . . . 0.0 110.816 -179.743 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.61 1.73 4.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.989 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.499 ' O ' ' CD1' ' A' ' 53' ' ' LEU . . . -71.56 66.79 0.51 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.114 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.3 t -46.07 118.42 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -127.98 129.34 6.31 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.543 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.549 ' CG ' ' O ' ' A' ' 43' ' ' HIS . 2.8 p80 -103.56 117.39 34.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.834 0.349 . . . . 0.0 110.877 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.429 ' CD2' ' HB2' ' A' ' 2' ' ' TYR . 1.1 mt -58.7 119.49 7.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.494 ' CG2' ' O ' ' A' ' 2' ' ' TYR . 56.3 p -72.51 2.55 6.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.164 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.12 -43.57 16.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.587 ' SG ' ' CD2' ' A' ' 49' ' ' HIS . 6.7 p -124.42 -16.93 6.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.481 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 0.3 OUTLIER 83.29 42.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.841 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.587 ' CD2' ' SG ' ' A' ' 47' ' ' CYS . 9.0 m170 -109.88 129.06 55.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.6 ' C ' ' CG ' ' A' ' 51' ' ' PHE . . . -97.67 160.16 14.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.088 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.66 ' CD2' ' N ' ' A' ' 51' ' ' PHE . 0.0 OUTLIER 173.04 175.54 0.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.923 -179.927 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.454 ' CE1' ' HB2' ' A' ' 14' ' ' CYS . 35.8 m170 -68.08 102.18 1.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.499 ' CD1' ' O ' ' A' ' 40' ' ' ALA . 5.7 mt -36.28 -70.14 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.468 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -37.8 -63.16 0.49 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.872 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.417 ' C ' HD12 ' A' ' 16' ' ' ILE . 98.7 m -43.22 -51.48 6.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.591 ' CD1' ' CD2' ' A' ' 51' ' ' PHE . 13.8 mt -54.34 -59.2 4.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.458 ' CD1' ' O ' ' A' ' 68' ' ' SER . 5.8 tp -44.5 -46.0 9.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.957 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.409 ' CB ' ' CD2' ' A' ' 27' ' ' TYR . . . -59.01 -61.08 2.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.092 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -70.92 -8.67 54.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.833 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.646 ' C ' ' CD2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -64.49 -14.85 59.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.923 -179.861 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.431 ' N ' ' CD2' ' A' ' 60' ' ' TYR . 0.5 OUTLIER -69.13 -9.38 52.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -93.28 -53.83 3.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 65' ' ' LYS . . . -115.94 -168.03 15.14 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.51 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.453 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 3.1 m120 44.35 -90.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.851 0.358 . . . . 0.0 110.921 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.566 ' HA ' ' CE1' ' A' ' 60' ' ' TYR . 0.1 OUTLIER 58.31 25.84 13.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.892 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.449 ' C ' ' OD2' ' A' ' 66' ' ' ASP . 0.9 OUTLIER -72.48 -36.55 68.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 179.897 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.444 ' N ' ' OH ' ' A' ' 2' ' ' TYR . . . 145.26 40.8 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.532 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.597 ' CB ' ' CE1' ' A' ' 2' ' ' TYR . 0.3 OUTLIER -166.53 -67.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.978 0.418 . . . . 0.0 110.876 -179.714 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.549 ' C ' ' CD2' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -171.63 -173.71 1.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.93 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.453 ' HG3' ' N ' ' A' ' 64' ' ' ASN . 4.9 tt0 -134.24 151.26 51.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 12.1 t -97.43 102.92 14.0 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.61 0.719 . . . . 0.0 110.865 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.453 ' HG3' ' CD1' ' A' ' 16' ' ' ILE . 53.3 Cg_endo -69.8 -11.0 29.9 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.671 2.247 . . . . 0.0 112.335 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.01 -65.57 0.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.832 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.5 p -116.43 23.04 12.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.8 mttt 45.94 50.14 11.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.124 -179.972 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.842 0.353 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.565 ' CE2' ' HB2' ' A' ' 68' ' ' SER . 0.0 OUTLIER -116.14 -4.41 11.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.965 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.46 HG22 ' CD1' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -128.94 155.78 44.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.202 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 5' ' ' GLU . 0.1 OUTLIER -128.36 110.99 12.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.969 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 4' ' ' GLU . 6.6 tt0 -35.05 143.52 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.838 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 8' ' ' VAL . 18.0 mt -94.06 115.37 27.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.965 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 6' ' ' LEU . 4.0 mmtp -38.31 -26.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.911 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.501 ' N ' ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -148.54 158.85 39.86 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.577 0.703 . . . . 0.0 111.116 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 131.49 21.22 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.645 2.23 . . . . 0.0 112.338 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -163.76 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.63 2.22 . . . . 0.0 112.313 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -143.39 49.22 1.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.515 ' O ' ' CB ' ' A' ' 13' ' ' ASP . 57.6 mm-40 -115.61 -96.25 0.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER 160.23 136.14 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.845 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 53.0 t -47.79 162.79 0.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -114.99 -27.34 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.145 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.465 HD11 ' N ' ' A' ' 56' ' ' LEU . 8.3 mt -81.66 -68.48 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.179 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.497 ' SG ' ' CG ' ' A' ' 19' ' ' GLU . 18.3 p -73.36 -11.67 60.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.3 29.99 17.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.497 ' CG ' ' SG ' ' A' ' 17' ' ' CYS . 7.9 mm-40 -110.05 160.25 16.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.896 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.64 138.67 22.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.409 ' HG ' ' C ' ' A' ' 13' ' ' ASP . 10.5 mt -66.21 -11.88 52.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.843 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.06 -17.68 16.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.8 m -84.13 29.6 0.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.105 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.431 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . 51.15 176.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.059 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.7 t -68.25 147.22 52.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -83.79 -21.83 56.89 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.51 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.426 ' O ' ' N ' ' A' ' 29' ' ' ASP . 21.3 m-85 -94.48 4.83 53.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.9 0.381 . . . . 0.0 110.929 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -42.66 -23.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 27' ' ' TYR . 0.3 OUTLIER -101.27 -38.0 8.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.824 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.99 -67.22 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 10.8 p -58.88 -152.84 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.175 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.466 ' O ' ' N ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -153.31 -37.02 0.1 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.849 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 32' ' ' ASP . 8.7 m -37.37 94.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -84.38 -13.06 53.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.877 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.47 -48.67 37.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.186 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.43 ' CD1' HD13 ' A' ' 57' ' ' LEU . 18.6 mt -72.56 -32.57 66.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.79 11.51 84.53 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.516 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.9 p 37.45 78.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.913 0.387 . . . . 0.0 110.869 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.4 tp 177.22 -28.76 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.851 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -80.47 108.12 13.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.9 t -74.76 120.19 23.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.403 ' N ' ' HG ' ' A' ' 53' ' ' LEU . . . -123.56 132.74 8.6 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.431 ' CG ' ' O ' ' A' ' 43' ' ' HIS . 1.9 p80 -106.53 123.59 48.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.795 0.331 . . . . 0.0 110.877 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.528 ' CD1' ' CD2' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -63.01 95.06 0.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.452 ' CG2' ' O ' ' A' ' 2' ' ' TYR . 0.0 OUTLIER -38.7 -25.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.145 179.918 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 44' ' ' LEU . 1.7 tptp -53.38 -51.61 61.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 18.7 p -120.47 -34.86 3.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.8 m 74.41 74.55 0.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.413 ' ND1' ' HB3' ' A' ' 73' ' ' SER . 29.4 m170 -115.66 -25.98 7.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.601 ' C ' ' CG ' ' A' ' 51' ' ' PHE . . . 71.2 143.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.075 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.665 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -178.99 -169.08 0.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.511 ' O ' ' N ' ' A' ' 54' ' ' LEU . 43.2 m170 -86.29 95.21 9.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 52' ' ' HIS . 10.0 mt -35.3 -30.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.931 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.551 ' C ' ' CD1' ' A' ' 54' ' ' LEU . 0.3 OUTLIER -69.27 -61.66 1.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.955 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 96.7 m -49.87 -62.84 1.34 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 60' ' ' TYR . 0.2 OUTLIER -40.21 -52.08 2.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.43 HD13 ' CD1' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -45.04 -56.65 4.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.977 179.849 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.54 -55.56 33.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.139 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.408 ' HE3' ' C ' ' A' ' 59' ' ' MET . 0.1 OUTLIER -63.89 -16.33 61.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.631 ' C ' ' CD1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -70.65 -14.43 62.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.918 -179.882 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 31.2 p -60.01 -9.87 3.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -90.55 -46.63 8.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 60' ' ' TYR . . . -142.29 -174.47 14.89 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.521 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.474 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 3.4 t-20 48.1 53.66 11.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.92 0.391 . . . . 0.0 110.861 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.568 ' HA ' ' CE2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -94.15 106.7 18.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.891 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.437 ' CB ' ' OH ' ' A' ' 2' ' ' TYR . 0.4 OUTLIER -164.07 -37.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.867 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.437 ' N ' ' OH ' ' A' ' 2' ' ' TYR . . . 151.91 73.99 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.491 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.565 ' HB2' ' CE2' ' A' ' 2' ' ' TYR . 0.6 OUTLIER 168.65 -92.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.955 0.407 . . . . 0.0 110.894 -179.697 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.564 ' C ' ' CD2' ' A' ' 69' ' ' LEU . 0.0 OUTLIER 178.11 -173.34 0.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.922 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.475 ' N ' ' HB2' ' A' ' 60' ' ' TYR . 9.2 tp60 -130.25 143.29 50.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.455 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 6.4 t -76.35 111.45 15.55 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.626 0.727 . . . . 0.0 110.938 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.414 ' HG3' ' CD1' ' A' ' 56' ' ' LEU . 52.9 Cg_endo -69.76 -7.74 21.82 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.668 2.246 . . . . 0.0 112.32 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.413 ' HB3' ' ND1' ' A' ' 49' ' ' HIS . 0.4 OUTLIER -82.13 -82.56 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.858 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 75' ' ' LYS . 20.2 p -99.85 34.14 2.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.856 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 74' ' ' CYS . 0.0 OUTLIER 37.0 43.56 0.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.911 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.433 HG21 ' CG ' ' A' ' 46' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.129 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 9.9 m120 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.863 0.363 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.584 ' CD1' ' CB ' ' A' ' 68' ' ' SER . 2.6 m-30 -91.89 -28.63 17.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.449 ' OG1' ' N ' ' A' ' 4' ' ' GLU . 0.5 OUTLIER -145.01 175.07 10.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.148 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.449 ' N ' ' OG1' ' A' ' 3' ' ' THR . 6.1 tt0 -111.3 119.41 38.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.871 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 4' ' ' GLU . 6.3 tt0 -34.97 133.57 0.28 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.952 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.508 ' O ' ' CB ' ' A' ' 7' ' ' LYS . 3.1 mt -82.57 -25.85 32.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.98 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.508 ' CB ' ' O ' ' A' ' 6' ' ' LEU . 4.3 tttt 83.43 -34.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.45 HG13 ' N ' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -132.82 144.34 52.46 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.708 0.766 . . . . 0.0 111.125 179.8 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.45 ' N ' HG13 ' A' ' 8' ' ' VAL . 54.0 Cg_endo -69.82 110.32 2.54 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 122.606 2.204 . . . . 0.0 112.382 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -164.72 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.673 2.249 . . . . 0.0 112.321 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -105.14 32.61 4.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -98.25 -38.18 9.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 61.55 130.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.836 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.508 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 46.1 t -44.15 160.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.856 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -119.86 -20.26 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.561 HG22 ' CE1' ' A' ' 27' ' ' TYR . 0.9 OUTLIER -76.56 -66.25 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.153 179.857 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.4 p -81.3 -3.61 53.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.829 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 54.38 53.08 11.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -133.34 -177.74 4.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.821 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -76.17 132.31 39.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.2 mt -60.18 -10.05 4.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 83.3 p -86.81 -45.4 10.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.432 ' CG2' ' N ' ' A' ' 24' ' ' ALA . 20.0 m -51.3 -89.58 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.432 ' N ' ' CG2' ' A' ' 23' ' ' THR . . . 170.21 164.91 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.132 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.84 126.27 19.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -71.7 -27.62 70.63 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.49 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.561 ' CE1' HG22 ' A' ' 16' ' ' ILE . 13.7 m-30 -83.92 -0.34 50.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.874 0.369 . . . . 0.0 110.915 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.2 t -57.74 -12.32 2.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -82.35 -22.32 35.58 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.856 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.6 p -123.37 -8.39 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.19 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.469 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 42.4 p -110.35 -93.43 0.44 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.086 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 34' ' ' LYS . 1.4 t0 80.86 -5.75 1.68 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.82 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.457 ' O ' ' CB ' ' A' ' 34' ' ' LYS . 1.8 t 42.96 -91.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.855 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 32' ' ' ASP . 0.6 OUTLIER 164.07 -23.12 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 179.903 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -119.11 -42.86 2.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.47 ' CD2' ' CB ' ' A' ' 53' ' ' LEU . 1.4 mt -55.71 -40.89 73.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.99 12.95 51.15 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.454 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.9 t 61.7 59.77 1.73 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.91 0.386 . . . . 0.0 110.903 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -177.65 57.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.934 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -149.55 105.28 3.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.134 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 32.6 t -102.46 123.14 55.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -151.43 135.82 5.25 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.5 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.449 ' O ' ' C ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -89.75 103.82 16.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.838 0.351 . . . . 0.0 110.839 -179.883 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.471 HD21 ' CD2' ' A' ' 2' ' ' TYR . 0.2 OUTLIER -33.59 120.38 0.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.885 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.3 p -64.06 -10.65 23.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.5 mtmm -73.45 -68.26 0.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.469 ' SG ' ' CD2' ' A' ' 49' ' ' HIS . 26.4 p -96.42 -16.35 21.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER 60.39 70.66 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.819 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.574 ' HB2' ' CZ ' ' A' ' 51' ' ' PHE . 20.8 m170 -115.79 -101.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.844 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.618 ' C ' ' CG ' ' A' ' 51' ' ' PHE . . . 158.32 133.18 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.023 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.618 ' CG ' ' C ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -178.99 178.04 0.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.508 ' CE1' ' HB2' ' A' ' 14' ' ' CYS . 22.9 m170 -88.02 103.51 15.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.47 ' CB ' ' CD2' ' A' ' 36' ' ' LEU . 24.3 mt -36.3 -29.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 52' ' ' HIS . 0.4 OUTLIER -78.11 -68.47 0.63 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.915 179.896 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 54' ' ' LEU . 57.6 m -35.61 -38.31 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.815 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.595 ' N ' ' CD1' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -72.72 -51.48 19.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.46 ' CD2' ' O ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -39.59 -25.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.91 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 56' ' ' LEU . . . -77.02 -65.46 0.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.492 ' SD ' ' CD1' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -68.97 -8.62 46.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.872 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.519 ' CZ ' ' HG3' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -64.11 -21.47 66.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 -179.792 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.05 -9.41 4.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -90.8 -54.06 4.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -135.62 -167.54 11.33 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.519 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.488 ' ND2' ' C ' ' A' ' 76' ' ' THR . 11.5 t-20 38.77 36.19 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.846 0.355 . . . . 0.0 110.905 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.519 ' HG3' ' CZ ' ' A' ' 60' ' ' TYR . 0.8 OUTLIER -85.64 77.35 9.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.906 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -114.38 -36.7 4.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 156.84 33.46 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.527 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.584 ' CB ' ' CD1' ' A' ' 2' ' ' TYR . 66.1 m -155.06 -87.3 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.848 0.356 . . . . 0.0 110.905 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.518 ' HA ' ' CD1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -166.88 -173.34 2.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.481 ' O ' ' CE ' ' A' ' 59' ' ' MET . 66.4 tt0 -123.69 157.63 33.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 14.8 t -100.81 115.47 65.28 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.61 0.719 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -10.65 29.07 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.622 2.214 . . . . 0.0 112.369 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.13 -77.87 0.21 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.825 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 76' ' ' THR . 26.2 p -104.48 38.3 1.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.589 ' CD ' ' N ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER 37.74 31.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.828 179.91 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.488 ' C ' ' ND2' ' A' ' 64' ' ' ASN . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.139 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . 0.511 ' HB3' ' CD1' ' A' ' 2' ' ' TYR . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.823 0.344 . . . . 0.0 110.901 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.581 ' CE1' ' HA ' ' A' ' 68' ' ' SER . 0.1 OUTLIER -110.09 5.62 22.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.936 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.491 ' O ' ' N ' ' A' ' 5' ' ' GLU . 2.6 p -122.45 133.4 54.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.148 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 4' ' ' GLU . 0.6 OUTLIER -34.37 93.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 3' ' ' THR . 9.6 tt0 -58.79 158.02 8.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 8' ' ' VAL . 14.3 mt -118.36 122.48 42.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -34.29 -35.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 179.814 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 6' ' ' LEU . 1.4 m -148.04 157.13 43.58 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.625 0.726 . . . . 0.0 111.127 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 125.77 12.5 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.697 2.265 . . . . 0.0 112.258 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -163.87 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.699 2.266 . . . . 0.0 112.374 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -116.26 32.19 6.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -88.54 -25.12 22.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.7 t70 65.4 128.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.462 ' N ' ' HG ' ' A' ' 21' ' ' LEU . 46.1 t -41.58 163.92 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.832 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -113.83 -24.55 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.139 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.414 ' CG1' ' HB3' ' A' ' 55' ' ' CYS . 0.6 OUTLIER -76.13 -70.1 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.843 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 18' ' ' MET . 30.0 p -82.07 15.28 2.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.43 ' C ' ' O ' ' A' ' 17' ' ' CYS . 6.5 mtp 35.58 51.69 0.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -130.94 165.27 23.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -56.24 136.72 52.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.462 ' HG ' ' N ' ' A' ' 14' ' ' CYS . 13.7 mt -68.78 -2.0 8.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.925 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -113.68 12.53 18.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.2 p -116.92 26.87 9.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.101 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 60.07 170.75 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.412 ' HA ' ' ND1' ' A' ' 52' ' ' HIS . 2.9 t -71.6 144.9 49.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.887 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -82.56 -26.15 47.8 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.513 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.3 m-30 -82.99 4.66 25.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.879 0.371 . . . . 0.0 110.916 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 91.4 p -60.63 -10.24 4.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.899 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -86.1 -11.46 52.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -129.35 -53.47 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.144 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 27.0 p -58.59 -45.66 88.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 43.29 31.11 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -40.6 102.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.906 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -88.39 30.43 0.89 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -125.16 -42.11 2.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.106 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.509 ' CD2' ' CG ' ' A' ' 1' ' ' ASN . 44.6 mt -81.62 -62.6 1.6 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.973 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 141.92 -20.86 2.5 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.484 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.405 ' CB ' HD23 ' A' ' 54' ' ' LEU . 43.1 t 63.61 20.34 12.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.896 0.379 . . . . 0.0 110.87 -179.716 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -153.25 23.13 0.55 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.427 ' CB ' HD12 ' A' ' 53' ' ' LEU . . . -110.59 139.47 45.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.4 t -119.03 124.14 72.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.16 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.404 ' C ' ' OG1' ' A' ' 3' ' ' THR . . . -157.66 140.95 7.4 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.54 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.598 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 0.3 OUTLIER -94.24 115.44 27.69 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.741 0.305 . . . . 0.0 110.914 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.475 ' HA ' ' CG2' ' A' ' 3' ' ' THR . 1.2 mt -36.49 139.35 0.18 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.858 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 p -82.58 37.49 0.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.46 -57.22 1.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.59 ' SG ' ' CD2' ' A' ' 49' ' ' HIS . 6.6 p -110.67 -16.51 13.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 1.5 m 83.04 26.43 0.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.606 ' O ' ' CZ ' ' A' ' 51' ' ' PHE . 12.1 m170 -89.46 126.33 35.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.578 ' C ' ' CG ' ' A' ' 51' ' ' PHE . . . -89.6 160.91 16.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.146 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.606 ' CZ ' ' O ' ' A' ' 49' ' ' HIS . 0.0 OUTLIER 170.38 -170.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 -179.908 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.502 ' O ' ' N ' ' A' ' 54' ' ' LEU . 36.5 m170 -87.52 97.68 10.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.907 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.469 HD11 ' N ' ' A' ' 1' ' ' ASN . 38.4 mt -35.93 -30.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.939 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.54 ' C ' ' CD1' ' A' ' 54' ' ' LEU . 0.3 OUTLIER -69.9 -58.85 3.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 179.918 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.414 ' HB3' ' CG1' ' A' ' 16' ' ' ILE . 75.0 m -49.45 -47.46 48.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.845 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.579 HD23 ' CE2' ' A' ' 51' ' ' PHE . 5.6 mp -55.66 -57.77 10.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 15.8 tp -45.68 -26.87 0.69 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.991 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.52 -66.56 0.57 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.059 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.507 ' CE ' ' O ' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -74.13 -8.38 55.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.54 ' CD1' ' HA ' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -56.13 -28.69 58.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.004 -179.882 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.475 ' N ' ' CD2' ' A' ' 60' ' ' TYR . 0.1 OUTLIER -60.64 -9.36 3.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.911 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 -83.59 -49.57 9.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.485 ' N ' ' OE1' ' A' ' 70' ' ' GLN . . . -138.25 -172.03 12.4 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.491 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.455 ' ND2' ' HA ' ' A' ' 70' ' ' GLN . 3.1 m-20 63.28 -74.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.939 0.399 . . . . 0.0 110.895 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.51 ' HA ' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER 41.79 82.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -151.09 59.13 0.91 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 45.36 51.24 9.53 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.447 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.581 ' HA ' ' CE1' ' A' ' 2' ' ' TYR . 58.7 m -168.71 -96.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.863 0.363 . . . . 0.0 110.814 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.54 ' HA ' ' CD1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -172.55 -174.05 1.12 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.951 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.507 ' O ' ' CE ' ' A' ' 59' ' ' MET . 52.7 tt0 -129.18 158.0 40.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.949 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.407 ' HB3' ' C ' ' A' ' 76' ' ' THR . 4.9 t -88.96 111.47 44.94 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.653 0.739 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.569 ' HD2' ' CE1' ' A' ' 51' ' ' PHE . 53.9 Cg_endo -69.73 -16.53 37.71 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.638 2.225 . . . . 0.0 112.369 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.73 -81.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.89 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 19.2 p -99.37 29.71 3.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt 48.21 45.97 19.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.407 ' C ' ' HB3' ' A' ' 71' ' ' CYS . 2.5 m . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.883 0.373 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.52 ' CZ ' ' HB2' ' A' ' 68' ' ' SER . 9.9 m-30 -87.36 -28.36 22.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.94 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.423 ' OG1' ' N ' ' A' ' 4' ' ' GLU . 0.5 OUTLIER -141.46 173.48 11.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.11 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 5' ' ' GLU . 0.5 OUTLIER -112.58 111.32 22.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 4' ' ' GLU . 22.9 tt0 -35.15 137.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.826 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.458 ' O ' ' CB ' ' A' ' 7' ' ' LYS . 16.9 mt -86.63 -24.81 25.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.458 ' CB ' ' O ' ' A' ' 6' ' ' LEU . 5.6 tttt 81.38 -14.61 0.8 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.5 m -144.37 145.85 30.72 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.638 0.732 . . . . 0.0 111.088 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.404 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 54.4 Cg_endo -69.74 110.38 2.54 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.578 2.185 . . . . 0.0 112.37 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 9' ' ' PRO . 53.8 Cg_endo -69.77 -163.83 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.685 2.257 . . . . 0.0 112.327 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -119.81 63.66 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.462 ' HB2' ' CD1' ' A' ' 21' ' ' LEU . 5.3 mm-40 -121.88 -25.43 5.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 65.38 123.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.566 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 42.6 t -46.02 153.03 0.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -111.09 -19.04 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.07 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.544 HG21 ' CE2' ' A' ' 27' ' ' TYR . 1.0 OUTLIER -77.73 -67.24 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.15 179.841 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.3 p -81.97 -6.66 59.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.67 43.64 15.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.959 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -122.93 159.32 28.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.973 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.88 135.96 35.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.462 ' CD1' ' HB2' ' A' ' 12' ' ' GLU . 7.2 mt -68.53 -7.35 31.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.46 -47.57 13.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.878 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.7 p -55.64 -89.64 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.129 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 171.78 177.56 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.1 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.64 135.01 56.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -83.14 -20.35 60.95 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.497 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.544 ' CE2' HG21 ' A' ' 16' ' ' ILE . 10.5 m-30 -90.71 1.68 56.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.875 0.369 . . . . 0.0 110.835 -179.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.5 t -52.72 -18.09 1.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.848 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.99 -36.59 81.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.1 p -165.69 86.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.123 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.489 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -115.16 -22.58 9.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.489 ' CB ' ' O ' ' A' ' 31' ' ' THR . 7.0 t0 82.29 16.41 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.804 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.4 p -92.59 120.91 33.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.21 13.73 34.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.922 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -121.68 -50.5 2.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.066 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -78.48 117.96 20.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.929 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -91.32 19.96 43.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.7 p 60.92 50.23 5.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.887 0.375 . . . . 0.0 110.857 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.404 ' CG ' ' O ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -164.15 49.97 0.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -149.96 151.77 33.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -139.83 135.11 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -151.64 122.89 1.4 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.488 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.442 ' O ' ' C ' ' A' ' 44' ' ' LEU . 7.8 m170 -81.22 100.16 8.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.784 0.326 . . . . 0.0 110.821 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 48' ' ' SER . 2.3 tp -34.27 118.62 0.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.919 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 41.0 p -58.79 -26.17 63.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.192 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.87 -64.73 0.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.519 ' SG ' ' CD2' ' A' ' 49' ' ' HIS . 32.1 p -100.38 -36.68 9.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 44' ' ' LEU . 1.5 t 81.89 68.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 51' ' ' PHE . 26.6 m170 -115.59 -103.33 0.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.594 ' O ' ' CD2' ' A' ' 51' ' ' PHE . . . 158.98 134.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.594 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -174.53 168.31 3.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.566 ' CE1' ' HB2' ' A' ' 14' ' ' CYS . 34.1 m170 -76.27 100.44 5.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.841 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 52' ' ' HIS . 26.6 mt -36.14 -30.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.96 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 52' ' ' HIS . 0.6 OUTLIER -73.48 -70.16 0.39 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.976 179.887 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 89.1 m -42.37 -29.12 0.24 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.559 HD13 ' CD1' ' A' ' 51' ' ' PHE . 7.0 mt -76.38 -49.19 17.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.468 ' CD2' ' O ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -44.25 -21.67 0.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.894 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 56' ' ' LEU . . . -77.92 -66.92 0.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.048 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.467 ' CE ' ' HB3' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -60.61 -38.22 83.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.577 ' C ' ' CD1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -43.52 -22.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 -179.857 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.533 ' N ' ' CD1' ' A' ' 60' ' ' TYR . 24.3 p -48.45 -29.65 4.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.947 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -97.64 -70.38 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.837 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.516 ' O ' ' N ' ' A' ' 65' ' ' LYS . . . -67.87 174.91 28.25 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.465 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.493 ' ND2' ' OE1' ' A' ' 70' ' ' GLN . 27.3 m-20 34.23 -92.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.871 0.367 . . . . 0.0 110.887 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.568 ' HA ' ' CE2' ' A' ' 60' ' ' TYR . 10.3 tttp 52.32 71.89 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.457 ' CB ' ' OH ' ' A' ' 2' ' ' TYR . 0.4 OUTLIER -138.47 3.93 2.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 179.913 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.433 ' O ' ' CB ' ' A' ' 68' ' ' SER . . . 122.79 63.56 0.21 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.539 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.52 ' HB2' ' CZ ' ' A' ' 2' ' ' TYR . 0.5 OUTLIER 165.66 -83.63 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.848 0.356 . . . . 0.0 110.857 -179.717 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.576 ' HA ' ' CD2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER 177.46 -172.4 0.11 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.493 ' OE1' ' ND2' ' A' ' 64' ' ' ASN . 4.4 tp60 -127.01 157.7 38.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.429 ' SG ' ' CE2' ' A' ' 51' ' ' PHE . 6.0 t -91.81 112.12 53.03 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.619 0.723 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.456 ' HD2' ' CD2' ' A' ' 51' ' ' PHE . 53.8 Cg_endo -69.75 -8.23 23.08 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.659 2.239 . . . . 0.0 112.393 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.28 -81.84 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 76' ' ' THR . 21.2 p -100.38 33.88 2.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.882 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 74' ' ' CYS . 0.8 OUTLIER 37.19 31.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.459 HG22 ' CD2' ' A' ' 44' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.134 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.788 0.327 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.55 ' CE2' ' OG ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -106.38 -6.72 18.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.472 ' CG2' HD22 ' A' ' 44' ' ' LEU . 19.1 p -103.26 161.9 13.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.176 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -116.79 109.9 17.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -47.38 157.69 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 8' ' ' VAL . 1.8 mt -130.56 106.5 8.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 6' ' ' LEU . 15.9 mttt -37.32 -28.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' A' ' 6' ' ' LEU . 3.8 m -137.36 144.25 44.69 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.56 0.695 . . . . 0.0 111.173 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 126.32 13.18 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.739 2.293 . . . . 0.0 112.304 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.464 ' HG2' ' CD1' ' A' ' 21' ' ' LEU . 53.8 Cg_endo -69.81 -163.87 0.12 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.718 2.279 . . . . 0.0 112.336 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -116.52 60.28 0.73 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -121.38 -21.56 6.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 65.21 131.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.8 t -50.78 152.23 2.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.83 -12.94 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.083 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.616 ' CG2' ' CE2' ' A' ' 27' ' ' TYR . 9.9 mm -78.88 -70.21 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 28.0 p -86.94 2.26 49.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.919 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 55.36 42.43 30.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 20' ' ' LYS . 6.6 mm-40 -125.98 144.28 50.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -34.39 139.65 0.08 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.464 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 6.8 mt -64.85 -5.86 6.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -105.22 -10.38 17.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.412 ' OG1' ' CB ' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -87.91 24.43 1.78 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.198 -179.907 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.544 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . 54.7 168.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.085 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.495 ' CB ' ' SG ' ' A' ' 55' ' ' CYS . 0.4 OUTLIER -64.58 136.45 57.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 -179.758 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -84.96 -18.43 61.23 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.432 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.616 ' CE2' ' CG2' ' A' ' 16' ' ' ILE . 10.5 m-30 -85.7 -12.01 52.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.909 0.385 . . . . 0.0 110.93 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.5 t -49.13 -24.23 1.57 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.923 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.02 -34.93 78.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.823 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.2 m -118.29 0.31 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.135 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 27' ' ' TYR . 2.9 m -128.01 117.53 21.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.116 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 33' ' ' SER . 37.8 t70 -106.2 85.41 2.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.438 ' OG ' ' N ' ' A' ' 37' ' ' GLY . 0.1 OUTLIER -37.73 156.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.871 -179.751 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.5 mttt -118.3 8.24 12.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.83 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -151.73 -53.65 0.13 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.077 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.562 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -66.89 -70.38 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.486 ' O ' ' CB ' ' A' ' 38' ' ' SER . . . 129.65 -72.85 0.47 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.464 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 37' ' ' GLY . 2.9 t 161.02 -20.83 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.901 0.382 . . . . 0.0 110.827 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -115.13 42.57 2.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.457 ' CB ' HD12 ' A' ' 53' ' ' LEU . . . -131.78 130.64 42.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.077 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.415 ' C ' HD13 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -103.27 143.91 14.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -125.37 174.71 17.45 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.486 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.446 ' O ' ' C ' ' A' ' 44' ' ' LEU . 3.2 t-160 -154.48 79.66 1.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.813 0.34 . . . . 0.0 110.861 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.472 HD22 ' CG2' ' A' ' 3' ' ' THR . 0.0 OUTLIER -34.61 109.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.99 7.12 4.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.187 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.1 tptt -88.92 -39.74 13.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.964 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.548 ' SG ' ' CD2' ' A' ' 49' ' ' HIS . 7.3 p -125.0 -15.41 6.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 1.5 m 83.33 40.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.548 ' CD2' ' SG ' ' A' ' 47' ' ' CYS . 8.1 m170 -111.93 131.78 55.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.606 ' C ' ' CG ' ' A' ' 51' ' ' PHE . . . -106.97 166.04 10.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.131 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.651 ' CD2' ' CD1' ' A' ' 56' ' ' LEU . 0.0 OUTLIER 167.36 166.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 -179.919 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.544 ' CE1' ' O ' ' A' ' 24' ' ' ALA . 48.4 m170 -61.29 100.79 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.457 HD12 ' CB ' ' A' ' 40' ' ' ALA . 8.0 mt -37.92 -60.47 0.73 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.429 ' CD2' ' HB2' ' A' ' 38' ' ' SER . 1.0 OUTLIER -45.5 -67.23 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.495 ' SG ' ' CB ' ' A' ' 25' ' ' SER . 71.6 m -38.49 -45.18 1.02 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.651 ' CD1' ' CD2' ' A' ' 51' ' ' PHE . 10.0 mt -65.36 -57.8 7.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 56' ' ' LEU . 22.3 tp -37.3 -28.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.961 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.502 ' N ' ' O ' ' A' ' 56' ' ' LEU . . . -74.5 -44.55 50.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.097 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.502 ' N ' ' O ' ' A' ' 56' ' ' LEU . 2.3 ppp? -90.23 -7.87 52.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.509 ' C ' ' CD2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -69.66 -16.36 63.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 -179.833 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.48 -10.7 3.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -97.49 -58.02 2.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.892 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 64' ' ' ASN . . . -108.86 177.13 20.31 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.451 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.482 ' O ' ' CE1' ' A' ' 60' ' ' TYR . 20.9 m-20 34.12 57.73 0.62 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.867 0.365 . . . . 0.0 110.9 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.2 105.91 18.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.441 ' CB ' ' OH ' ' A' ' 2' ' ' TYR . 4.2 t0 -155.33 -36.47 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 144.36 40.25 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.474 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.55 ' OG ' ' CE2' ' A' ' 2' ' ' TYR . 0.0 OUTLIER -150.21 -89.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.997 0.427 . . . . 0.0 110.898 -179.828 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.563 ' C ' ' CD2' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -172.0 -179.65 2.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.909 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.473 ' N ' ' HB2' ' A' ' 60' ' ' TYR . 10.1 tt0 -135.13 151.63 50.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.47 ' N ' ' HG2' ' A' ' 70' ' ' GLN . 12.7 t -93.94 105.72 18.43 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.624 0.726 . . . . 0.0 110.851 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.484 ' HD2' ' CE1' ' A' ' 51' ' ' PHE . 54.1 Cg_endo -69.7 -27.68 26.48 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.735 2.29 . . . . 0.0 112.341 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.463 ' HG ' ' N ' ' A' ' 74' ' ' CYS . 0.3 OUTLIER -50.7 -65.24 0.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.855 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.463 ' N ' ' HG ' ' A' ' 73' ' ' SER . 14.5 p -114.79 23.55 12.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? 47.03 62.11 2.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.135 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 9.2 m120 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.749 0.309 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.497 ' CZ ' ' OG ' ' A' ' 68' ' ' SER . 0.2 OUTLIER -100.21 -16.55 17.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.942 -179.866 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.458 ' CG2' HD13 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -104.09 154.1 20.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.108 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.13 121.29 38.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.98 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -38.97 145.5 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 41' ' ' VAL . 3.4 mt -107.94 114.04 27.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.79 -13.53 1.81 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.962 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -157.45 159.23 30.92 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.671 0.748 . . . . 0.0 111.028 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 127.71 14.98 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.687 2.258 . . . . 0.0 112.291 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.47 ' O ' ' CB ' ' A' ' 11' ' ' ASP . 54.5 Cg_endo -69.79 -90.84 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.646 2.231 . . . . 0.0 112.386 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.47 ' CB ' ' O ' ' A' ' 10' ' ' PRO . 2.6 m-20 163.13 35.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.802 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.85 -22.89 10.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.421 ' C ' ' HG ' ' A' ' 21' ' ' LEU . 1.4 m-20 64.88 129.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.822 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.576 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 49.4 t -42.12 163.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.459 ' CG1' ' HG2' ' A' ' 72' ' ' PRO . 0.0 OUTLIER -119.34 -24.56 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.177 179.874 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.424 HD13 ' C ' ' A' ' 55' ' ' CYS . 0.2 OUTLIER -71.33 -66.78 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.887 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 18' ' ' MET . 17.3 p -90.76 22.73 3.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.841 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.432 ' C ' ' O ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER 35.27 43.78 0.14 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.407 ' CB ' ' SG ' ' A' ' 17' ' ' CYS . 16.3 tp10 -118.42 156.63 28.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.426 ' CB ' ' OG1' ' A' ' 23' ' ' THR . 0.0 OUTLIER -52.61 148.11 7.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.95 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.474 ' HG ' ' N ' ' A' ' 14' ' ' CYS . 9.8 mt -77.91 4.47 11.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -119.65 -22.13 7.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.426 ' OG1' ' CB ' ' A' ' 20' ' ' LYS . 0.8 OUTLIER -83.97 31.98 0.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.161 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 56.28 176.36 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.7 t -75.91 152.94 37.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.806 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -95.67 -16.06 40.84 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.447 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.434 ' O ' ' N ' ' A' ' 29' ' ' ASP . 12.0 m-30 -85.58 -6.64 59.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.874 0.369 . . . . 0.0 110.914 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.29 -25.48 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.842 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 27' ' ' TYR . 0.9 OUTLIER -57.14 -58.95 5.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.852 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.486 ' O ' ' N ' ' A' ' 32' ' ' ASP . 40.0 t -86.86 -69.17 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.126 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 33.1 p -41.02 91.9 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 30' ' ' VAL . 0.5 OUTLIER -94.48 68.39 3.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.856 179.895 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.0 p -75.85 168.64 19.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.11 39.87 3.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -158.45 -36.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.132 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.468 ' CD1' HD22 ' A' ' 57' ' ' LEU . 1.1 mt -77.06 -28.38 54.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.7 16.15 5.27 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.457 ' CB ' HD22 ' A' ' 54' ' ' LEU . 24.3 p 46.31 54.88 7.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.932 0.396 . . . . 0.0 110.86 -179.726 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -177.42 56.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.498 ' O ' ' CD1' ' A' ' 53' ' ' LEU . . . -161.27 92.32 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.06 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 6' ' ' LEU . 0.7 OUTLIER -87.14 131.74 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -141.1 130.98 4.69 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.522 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.445 ' O ' ' ND1' ' A' ' 43' ' ' HIS . 16.3 p80 -79.61 132.89 36.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.771 0.319 . . . . 0.0 110.868 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 48' ' ' SER . 0.1 OUTLIER -69.45 107.66 3.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.915 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.495 ' CG2' ' O ' ' A' ' 2' ' ' TYR . 73.6 p -41.0 -29.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.15 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -54.59 -69.81 0.12 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 31.1 p -108.31 -31.39 7.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 44' ' ' LEU . 22.7 m 66.24 83.23 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.837 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.597 ' HB2' ' CE2' ' A' ' 51' ' ' PHE . 27.1 m170 -118.79 -27.49 5.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.627 ' C ' ' CG ' ' A' ' 51' ' ' PHE . . . 84.84 138.64 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.101 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.627 ' CG ' ' C ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -170.7 -157.14 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.909 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.576 ' CE1' ' HB2' ' A' ' 14' ' ' CYS . 30.8 m170 -111.33 97.54 6.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.498 ' CD1' ' O ' ' A' ' 40' ' ' ALA . 37.7 mt -35.87 -33.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.457 HD22 ' CB ' ' A' ' 38' ' ' SER . 0.5 OUTLIER -69.2 -48.67 61.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.976 179.805 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.471 ' N ' ' O ' ' A' ' 52' ' ' HIS . 26.5 m -69.05 -38.72 79.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.523 HD12 ' CD1' ' A' ' 51' ' ' PHE . 29.5 mt -61.15 -38.01 84.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.468 HD22 ' CD1' ' A' ' 36' ' ' LEU . 26.9 tp -58.22 -31.29 67.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.953 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.79 -54.94 5.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.9 tmm? -57.51 -40.2 78.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.951 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.657 ' C ' ' CD1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -47.55 -19.9 0.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.977 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.9 p -57.97 -11.95 2.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -97.48 -63.65 1.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 64' ' ' ASN . . . -115.77 -165.41 14.43 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.488 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.487 ' ND2' ' OE1' ' A' ' 70' ' ' GLN . 6.5 m-20 34.34 46.45 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.889 0.376 . . . . 0.0 110.87 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.556 ' HA ' ' CE2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -84.96 80.91 9.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.84 -45.63 1.88 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 150.24 43.92 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.485 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.497 ' OG ' ' CZ ' ' A' ' 2' ' ' TYR . 0.6 OUTLIER -154.97 -74.19 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.905 0.384 . . . . 0.0 110.869 -179.723 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.553 ' C ' ' CD2' ' A' ' 69' ' ' LEU . 0.0 OUTLIER 176.47 -173.64 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.934 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.487 ' OE1' ' ND2' ' A' ' 64' ' ' ASN . 4.1 tp60 -132.49 157.95 43.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.473 ' O ' ' N ' ' A' ' 75' ' ' LYS . 39.1 t -91.89 106.53 17.66 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.585 0.707 . . . . 0.0 110.887 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.485 ' HD2' ' CD2' ' A' ' 51' ' ' PHE . 52.9 Cg_endo -69.83 -8.34 23.35 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.651 2.234 . . . . 0.0 112.32 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.426 ' HB3' ' ND1' ' A' ' 49' ' ' HIS . 28.3 t -81.62 -48.39 11.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 20.5 p -136.92 28.65 2.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 71' ' ' CYS . 14.7 mmtt 48.9 18.5 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.449 ' C ' ' OE1' ' A' ' 70' ' ' GLN . 0.7 OUTLIER . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . 0.643 ' CG ' ' CE2' ' A' ' 2' ' ' TYR . 35.5 t-20 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.849 0.357 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.643 ' CE2' ' CG ' ' A' ' 1' ' ' ASN . 0.2 OUTLIER -110.29 2.9 19.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.899 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.501 ' O ' ' N ' ' A' ' 5' ' ' GLU . 1.7 p -119.64 140.93 49.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.147 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.562 ' HB3' ' CE1' ' A' ' 43' ' ' HIS . 6.7 tt0 -34.05 93.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.953 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 3' ' ' THR . 3.0 tt0 -58.25 143.3 44.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.811 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 8' ' ' VAL . 14.3 mt -94.7 111.63 23.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.934 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 6' ' ' LEU . 18.5 tttt -36.91 -28.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.493 ' N ' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -145.04 165.88 20.33 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.641 0.734 . . . . 0.0 111.127 179.875 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.436 ' HD2' ' CG1' ' A' ' 8' ' ' VAL . 54.0 Cg_endo -69.73 132.9 24.36 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.725 2.283 . . . . 0.0 112.339 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.435 ' HG2' ' CD1' ' A' ' 21' ' ' LEU . 54.4 Cg_endo -69.7 -163.98 0.12 Allowed 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.7 2.266 . . . . 0.0 112.354 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -132.31 46.74 2.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.809 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.522 ' O ' ' CB ' ' A' ' 13' ' ' ASP . 1.5 mp0 -120.78 -97.82 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.522 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 2.5 m-20 159.51 149.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.849 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.458 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 42.7 t -66.54 148.81 51.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -97.48 -22.84 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.07 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.404 HG21 ' CZ ' ' A' ' 27' ' ' TYR . 1.1 mm -76.8 -70.78 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.081 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 25.4 p -79.53 -8.59 59.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.66 14.51 6.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.875 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -88.43 -178.36 5.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.825 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.448 ' HB2' ' CG2' ' A' ' 23' ' ' THR . 0.6 OUTLIER -71.55 133.05 45.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.88 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.435 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 6.4 mt -63.91 -8.08 10.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.2 t -102.37 -24.45 13.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.449 ' O ' ' CB ' ' A' ' 24' ' ' ALA . 40.2 p -77.87 7.6 5.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.142 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.531 ' CB ' ' CD2' ' A' ' 39' ' ' LEU . . . 80.5 -176.89 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.11 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.408 ' HA ' ' ND1' ' A' ' 52' ' ' HIS . 18.9 p -81.3 115.36 20.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.11 -20.0 25.99 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.509 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.468 ' HB2' ' CD1' ' A' ' 54' ' ' LEU . 4.4 m-30 -73.64 -16.48 61.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.827 0.346 . . . . 0.0 110.91 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 77.6 p -50.18 -24.25 2.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.814 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.26 -27.23 30.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.6 t -103.68 -80.98 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.083 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 72.5 p -44.84 102.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -77.38 54.75 1.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.8 127.39 40.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.99 30.84 6.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -115.65 -33.62 5.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.082 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.5 mp -85.28 -67.8 0.78 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 146.98 -36.76 1.2 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.435 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.432 ' HA ' ' CB ' ' A' ' 54' ' ' LEU . 2.5 p 67.07 14.6 9.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.881 0.372 . . . . 0.0 110.85 -179.713 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.531 ' CD2' ' CB ' ' A' ' 24' ' ' ALA . 2.9 mt -149.9 52.9 0.92 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -150.92 155.83 39.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.127 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.6 t -124.21 131.07 73.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.192 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.41 ' C ' ' OG1' ' A' ' 3' ' ' THR . . . -154.34 139.04 6.5 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.462 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.602 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 16.3 p-80 -95.42 115.94 28.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.867 0.365 . . . . 0.0 110.891 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.489 ' CD1' HD22 ' A' ' 69' ' ' LEU . 9.0 tp -38.02 132.62 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.96 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.44 2.58 11.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.76 -46.35 7.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.42 ' HB2' ' NE2' ' A' ' 49' ' ' HIS . 9.3 p -115.58 -16.82 11.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.408 ' OG ' ' C ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER 59.16 72.94 0.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.758 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 51' ' ' PHE . 21.6 m170 -117.29 -101.11 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.605 ' O ' ' CD1' ' A' ' 51' ' ' PHE . . . 158.79 130.88 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.605 ' CD1' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -177.29 169.88 2.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.796 -179.928 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.485 ' CE1' ' O ' ' A' ' 24' ' ' ALA . 31.6 m170 -74.7 101.56 4.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.836 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.596 ' CD1' ' N ' ' A' ' 1' ' ' ASN . 5.8 mt -36.11 -48.68 0.62 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.488 ' CD1' ' N ' ' A' ' 55' ' ' CYS . 2.2 tm? -56.87 -70.06 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.488 ' N ' ' CD1' ' A' ' 54' ' ' LEU . 57.7 m -35.69 -46.26 0.42 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.567 HD12 ' CD2' ' A' ' 51' ' ' PHE . 6.8 mt -60.42 -56.41 21.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.421 HD11 ' C ' ' A' ' 57' ' ' LEU . 2.8 tm? -46.04 -20.62 0.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.409 ' N ' ' C ' ' A' ' 56' ' ' LEU . . . -75.14 -66.45 0.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.061 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.8 ptm -75.27 -8.46 56.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.94 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.55 ' CD2' ' HA ' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -57.31 -25.36 59.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.97 -179.899 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -9.21 3.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.921 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -88.2 -54.36 4.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -134.25 -171.03 12.44 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.478 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 76' ' ' THR . 7.1 t-20 69.88 -69.28 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.851 0.358 . . . . 0.0 110.89 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.46 ' HA ' ' CE2' ' A' ' 60' ' ' TYR . 9.4 mmmt 34.34 87.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -160.95 57.41 0.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.508 ' O ' ' CD1' ' A' ' 2' ' ' TYR . . . 44.67 51.21 8.15 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.506 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.573 ' HA ' ' CE2' ' A' ' 2' ' ' TYR . 58.3 m -168.26 -98.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.924 0.392 . . . . 0.0 110.832 -179.739 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.55 ' HA ' ' CD2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -172.33 -174.01 1.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.482 ' N ' ' HB2' ' A' ' 60' ' ' TYR . 4.1 tp-100 -115.28 157.75 23.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.496 ' SG ' ' CE1' ' A' ' 51' ' ' PHE . 43.4 t -98.18 111.7 60.18 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.644 0.735 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.403 ' HD3' ' CD2' ' A' ' 56' ' ' LEU . 53.0 Cg_endo -69.86 3.92 2.54 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.612 2.208 . . . . 0.0 112.341 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.446 ' OG ' ' N ' ' A' ' 74' ' ' CYS . 0.0 OUTLIER -100.69 -72.22 0.68 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 -179.857 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 76' ' ' THR . 20.2 p -111.28 30.19 7.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 74' ' ' CYS . 0.1 OUTLIER 33.65 34.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.927 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.495 ' O ' ' ND2' ' A' ' 64' ' ' ASN . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.183 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.513 HG22 HD23 ' A' ' 44' ' ' LEU . 1.1 p . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.717 0.294 . . . . 0.0 111.158 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.568 ' HB3' ' CE1' ' A' ' 43' ' ' HIS . 36.7 tt0 -38.21 92.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.62 ' O ' HD23 ' A' ' 6' ' ' LEU . 15.0 tt0 -52.63 160.61 0.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.629 HD21 ' HD2' ' A' ' 43' ' ' HIS . 18.0 mt -124.69 112.71 17.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.949 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 6' ' ' LEU . 2.9 tptt -37.33 -28.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.955 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.495 ' N ' ' O ' ' A' ' 6' ' ' LEU . 2.7 m -143.96 146.93 36.15 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.641 0.734 . . . . 0.0 111.13 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.708 ' HB3' HG21 ' A' ' 41' ' ' VAL . 54.3 Cg_endo -69.81 130.49 19.37 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.698 2.265 . . . . 0.0 112.325 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.763 ' HD2' HG11 ' A' ' 41' ' ' VAL . 53.6 Cg_endo -69.75 -163.84 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.701 2.268 . . . . 0.0 112.307 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -114.15 22.96 13.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -83.91 -21.5 31.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 64.29 136.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.591 ' C ' HD13 ' A' ' 15' ' ' ILE . 13.5 t -49.88 166.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.668 HG21 ' HA ' ' A' ' 73' ' ' SER . 0.0 OUTLIER -123.9 -14.52 5.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.13 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.562 HG22 ' CE2' ' A' ' 27' ' ' TYR . 0.7 OUTLIER -81.29 -66.23 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.046 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.0 p -85.85 -4.81 59.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.964 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.4 mtp 58.65 45.26 16.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -125.17 161.43 26.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.6 mttp -52.96 132.12 36.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.523 HD21 ' HA ' ' A' ' 51' ' ' PHE . 6.4 mt -65.18 -5.49 6.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -87.8 -44.36 11.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.404 ' O ' ' HB2' ' A' ' 24' ' ' ALA . 0.6 OUTLIER -55.11 -93.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.143 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.404 ' HB2' ' O ' ' A' ' 23' ' ' THR . . . 178.91 -176.78 0.25 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 t -66.42 132.1 47.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -79.12 -26.82 57.2 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.533 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.592 ' HB3' HG23 ' A' ' 31' ' ' THR . 13.1 m-30 -84.53 -3.35 58.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.848 0.356 . . . . 0.0 110.916 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.21 -25.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.91 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 27' ' ' TYR . 4.0 m-20 -63.07 -59.02 5.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.819 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -127.96 91.17 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.592 HG23 ' HB3' ' A' ' 27' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.199 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.732 HD13 ' HB3' ' A' ' 53' ' ' LEU . 2.2 mt . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.836 0.35 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.536 ' O ' HD22 ' A' ' 54' ' ' LEU . . . 39.99 -99.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.544 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.0 p 177.31 48.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.926 0.393 . . . . 0.0 110.853 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.4 tp -177.69 49.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.922 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -133.45 112.15 11.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.082 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.763 HG11 ' HD2' ' A' ' 10' ' ' PRO . 13.0 t -96.03 119.19 43.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.101 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -140.68 136.84 7.86 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.629 ' HD2' HD21 ' A' ' 6' ' ' LEU . 30.4 p80 -92.64 108.84 20.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.78 0.324 . . . . 0.0 110.823 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.59 HD13 ' HB2' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -37.95 125.57 1.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.7 p -58.25 -30.07 66.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.59 ' HB2' HD13 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -52.39 -68.1 0.2 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.869 179.859 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.621 ' SG ' HG21 ' A' ' 76' ' ' THR . 10.2 p -96.9 -38.18 9.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 0.3 OUTLIER 82.75 71.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.808 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.701 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 30.7 m170 -117.86 -99.98 0.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.86 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.701 ' HB2' ' O ' ' A' ' 49' ' ' HIS . . . 158.99 133.0 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.19 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 1.008 ' CD2' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -176.58 148.62 0.73 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.91 -179.86 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.661 ' O ' HD12 ' A' ' 56' ' ' LEU . 33.2 m170 -48.55 99.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.83 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.732 ' HB3' HD13 ' A' ' 36' ' ' LEU . 14.4 mt -35.85 -61.42 0.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.853 ' O ' HD12 ' A' ' 54' ' ' LEU . 0.3 OUTLIER -42.22 -58.4 2.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.553 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 66.6 m -43.25 -60.8 1.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 1.008 HD21 ' CD2' ' A' ' 51' ' ' PHE . 5.4 mp -45.46 -58.36 3.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.647 HD12 ' CD1' ' A' ' 60' ' ' TYR . 7.6 tp -41.02 -24.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.553 ' HB3' ' O ' ' A' ' 55' ' ' CYS . . . -70.38 -66.74 0.56 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.067 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.473 ' CE ' ' HG2' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -76.76 -7.87 56.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.647 ' CD1' HD12 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -62.86 -19.51 64.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.885 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.01 -9.19 36.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.844 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.413 ' O ' ' NZ ' ' A' ' 65' ' ' LYS . 1.1 t-20 -91.53 -55.58 3.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.959 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 64' ' ' ASN . . . -119.44 -167.74 13.76 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.433 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.481 ' ND2' ' HA ' ' A' ' 70' ' ' GLN . 5.4 m-20 35.81 53.95 0.89 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.935 0.398 . . . . 0.0 110.855 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.413 ' NZ ' ' O ' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -88.98 104.45 16.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 179.887 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -157.01 -47.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 162.37 32.45 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.496 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.587 ' C ' HD13 ' A' ' 69' ' ' LEU . 21.2 p -152.5 -95.55 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.869 0.366 . . . . 0.0 110.877 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.643 ' HA ' ' CD2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER 177.32 174.83 0.44 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.695 ' O ' HD23 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -110.81 157.59 19.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.968 179.93 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.537 ' SG ' ' CZ ' ' A' ' 51' ' ' PHE . 5.5 t -85.2 114.86 58.54 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.54 0.686 . . . . 0.0 110.91 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.471 ' HG2' ' CG1' ' A' ' 15' ' ' ILE . 54.1 Cg_endo -69.77 -26.84 27.11 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.654 2.236 . . . . 0.0 112.385 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.668 ' HA ' HG21 ' A' ' 15' ' ' ILE . 9.4 t -57.95 -71.79 0.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 21.1 p -107.83 31.35 5.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.95 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.5 mmtm 48.48 33.11 3.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.621 HG21 ' SG ' ' A' ' 47' ' ' CYS . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.43 ' HB ' ' C ' ' A' ' 43' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.675 0.274 . . . . 0.0 111.146 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 5' ' ' GLU . 4.8 tt0 -84.83 107.59 17.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 4' ' ' GLU . 8.8 tt0 -35.06 133.47 0.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.514 HD23 ' N ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -85.89 103.03 14.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.947 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -37.31 -28.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.837 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.495 ' N ' ' O ' ' A' ' 6' ' ' LEU . 0.9 OUTLIER -136.01 144.09 46.88 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.662 0.744 . . . . 0.0 111.104 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 138.83 38.48 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.656 2.238 . . . . 0.0 112.325 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 11' ' ' ASP . 53.3 Cg_endo -69.69 -34.36 14.97 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.748 2.299 . . . . 0.0 112.331 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 10' ' ' PRO . 1.1 t0 83.0 10.62 0.55 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.487 ' O ' ' CB ' ' A' ' 13' ' ' ASP . 1.7 mm-40 -67.89 -93.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 1.1 t0 161.21 115.89 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.489 ' N ' ' O ' ' A' ' 19' ' ' GLU . 37.3 t -39.44 144.3 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -100.06 -13.97 8.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.14 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.661 HD11 HD23 ' A' ' 56' ' ' LEU . 74.5 mt -84.71 -71.89 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.074 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.46 ' SG ' ' CB ' ' A' ' 19' ' ' GLU . 20.8 p -79.76 3.61 18.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 56.19 25.7 9.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 14' ' ' CYS . 12.3 tp10 -105.43 161.7 14.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.44 ' HB2' HG22 ' A' ' 23' ' ' THR . 5.4 mmtt -58.82 143.9 45.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.861 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.639 HD21 ' HA ' ' A' ' 51' ' ' PHE . 10.7 mt -79.82 12.34 2.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -102.02 -47.48 4.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.861 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.548 HG23 ' H ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -58.32 -90.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.141 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.548 ' H ' HG23 ' A' ' 23' ' ' THR . . . -178.49 165.31 1.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.477 ' CB ' ' HB3' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -54.81 112.06 0.96 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.727 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.52 -21.36 57.47 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.498 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.564 ' CE2' HG22 ' A' ' 16' ' ' ILE . 3.3 m-85 -72.49 -22.14 61.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.834 0.35 . . . . 0.0 110.896 -179.763 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.0 p -38.31 -28.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -45.05 -64.06 0.79 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 179.909 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.4 m -108.71 -6.12 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.216 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' THR . . . . . 1.08 HG21 ' HB2' ' A' ' 58' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.173 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.564 HD11 ' HB2' ' A' ' 57' ' ' LEU . 72.2 mt . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.831 0.348 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 39' ' ' LEU . . . 101.65 100.84 2.49 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.512 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.511 ' HB3' HD23 ' A' ' 54' ' ' LEU . 4.8 p -40.11 94.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.923 0.392 . . . . 0.0 110.82 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.497 ' CB ' ' O ' ' A' ' 38' ' ' SER . 0.4 OUTLIER 161.31 -21.72 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.956 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.701 ' CB ' HD12 ' A' ' 53' ' ' LEU . . . -82.46 101.23 10.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.07 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.2 t -79.6 116.87 24.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -129.56 141.74 12.91 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.422 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.597 ' CE1' ' HA ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -120.63 127.34 51.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.819 0.342 . . . . 0.0 110.894 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.4 mt -62.54 122.39 15.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 16.1 p -80.51 9.23 6.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.148 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.19 -36.54 14.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.595 ' SG ' ' CD2' ' A' ' 49' ' ' HIS . 7.6 p -124.52 -16.23 6.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.885 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.597 ' HA ' ' CE1' ' A' ' 43' ' ' HIS . 2.1 t 83.42 39.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.595 ' CD2' ' SG ' ' A' ' 47' ' ' CYS . 7.9 m170 -109.51 149.42 29.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.825 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.603 ' C ' ' CG ' ' A' ' 51' ' ' PHE . . . -122.55 163.25 20.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.045 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.991 ' CD1' HD11 ' A' ' 56' ' ' LEU . 0.0 OUTLIER 169.88 173.84 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.856 -179.886 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.508 ' CD2' HD23 ' A' ' 21' ' ' LEU . 30.1 m170 -66.8 111.43 3.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.701 HD12 ' CB ' ' A' ' 40' ' ' ALA . 15.2 mt -43.37 -60.7 1.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.632 HD21 ' O ' ' A' ' 31' ' ' THR . 0.9 OUTLIER -46.32 -65.23 0.58 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.967 179.899 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.491 ' HB3' ' CD1' ' A' ' 16' ' ' ILE . 69.7 m -39.55 -50.77 2.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.991 HD11 ' CD1' ' A' ' 51' ' ' PHE . 7.7 mt -60.21 -58.57 7.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.004 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.564 ' HB2' HD11 ' A' ' 36' ' ' LEU . 9.2 tp -40.26 -39.95 1.04 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.908 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 1.08 ' HB2' HG21 ' A' ' 31' ' ' THR . . . -66.77 -66.23 0.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.076 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.482 ' SD ' HD11 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -64.13 -8.85 13.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.611 ' C ' ' CD2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -67.49 -17.08 64.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 -179.882 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 46.9 t -62.61 -9.37 8.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.966 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -97.02 -57.69 2.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 64' ' ' ASN . . . -118.88 179.65 16.81 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.452 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 63' ' ' GLY . 5.9 t-20 34.43 45.87 0.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.882 0.372 . . . . 0.0 110.904 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.473 ' HA ' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -78.76 68.42 4.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.931 179.872 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -115.13 31.25 6.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.84 56.08 20.92 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.492 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.587 ' CB ' HD13 ' A' ' 69' ' ' LEU . 16.1 m -164.26 -73.14 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.857 0.36 . . . . 0.0 110.838 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.708 ' N ' HD13 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -179.89 -178.3 0.43 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.542 ' O ' HD22 ' A' ' 56' ' ' LEU . 30.2 tt0 -137.56 154.19 49.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.468 ' N ' ' HG2' ' A' ' 70' ' ' GLN . 36.6 t -100.04 100.16 10.89 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.606 0.717 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.409 ' HG3' ' CG1' ' A' ' 16' ' ' ILE . 53.9 Cg_endo -69.75 0.37 5.74 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.657 2.238 . . . . 0.0 112.302 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.58 ' HG ' ' CE1' ' A' ' 49' ' ' HIS . 0.1 OUTLIER -85.05 -63.14 1.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.869 -179.843 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.3 p -118.77 18.73 13.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.854 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 44.45 50.81 8.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.945 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.476 ' HB ' ' N ' ' A' ' 43' ' ' HIS . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.734 0.302 . . . . 0.0 111.129 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.414 ' O ' HD23 ' A' ' 6' ' ' LEU . 70.6 tt0 -102.6 115.08 29.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -39.26 145.39 0.11 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.945 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.414 HD23 ' O ' ' A' ' 4' ' ' GLU . 16.4 mt -112.53 139.71 47.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.54 ' O ' HG13 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -59.63 -16.21 24.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 179.844 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.54 HG13 ' O ' ' A' ' 7' ' ' LYS . 0.3 OUTLIER -160.08 153.96 19.47 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.615 0.721 . . . . 0.0 111.114 179.876 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 127.99 15.44 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.752 2.301 . . . . 0.0 112.3 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.803 ' HD2' HG11 ' A' ' 41' ' ' VAL . 53.0 Cg_endo -69.84 -163.83 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.708 2.272 . . . . 0.0 112.321 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.25 50.23 1.33 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -111.87 -26.95 8.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 65.39 128.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.814 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.465 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 47.0 t -40.6 157.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -117.32 -20.54 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.135 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.882 HD11 HD23 ' A' ' 56' ' ' LEU . 0.6 OUTLIER -74.02 -69.97 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.844 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 28.3 p -81.12 2.12 28.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 2.3 mtp 52.36 50.84 17.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.905 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -128.99 -178.38 4.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.3 mttt -70.77 139.99 51.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.647 HD21 ' HA ' ' A' ' 51' ' ' PHE . 7.5 mt -70.58 -0.02 7.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.986 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 p -113.52 -11.76 13.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.554 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 0.8 OUTLIER -86.67 10.64 15.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.083 -179.904 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 23' ' ' THR . . . 75.27 170.78 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.459 ' CB ' ' HB3' ' A' ' 54' ' ' LEU . 0.3 OUTLIER -73.44 124.31 25.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.844 -179.815 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -70.87 -15.05 73.62 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.513 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -77.86 -24.77 48.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.941 0.4 . . . . 0.0 110.909 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.8 t -43.09 -28.1 0.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.65 -45.16 9.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.857 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.523 HG22 ' O ' ' A' ' 30' ' ' VAL . 11.1 p -134.27 2.49 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.127 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.975 HG21 ' HB2' ' A' ' 58' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.198 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.767 HD11 HD13 ' A' ' 57' ' ' LEU . 56.2 mt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.798 0.332 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.24 3.75 13.67 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.492 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 49.61 26.36 1.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.892 0.377 . . . . 0.0 110.876 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.405 ' O ' ' CG ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -127.97 33.24 4.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -141.38 150.43 42.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.046 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.803 HG11 ' HD2' ' A' ' 10' ' ' PRO . 0.5 OUTLIER -116.3 122.11 69.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.409 ' C ' ' HB ' ' A' ' 3' ' ' THR . . . -134.1 135.51 8.04 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.503 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.476 ' N ' ' HB ' ' A' ' 3' ' ' THR . 2.6 p80 -111.86 123.1 49.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.812 0.339 . . . . 0.0 110.771 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.01 129.28 37.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.5 p -84.3 24.03 1.01 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -108.03 -40.33 5.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.546 ' SG ' ' CD2' ' A' ' 49' ' ' HIS . 7.5 p -124.44 -16.49 6.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.874 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 1.3 t 83.13 31.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.546 ' CD2' ' SG ' ' A' ' 47' ' ' CYS . 8.9 m170 -100.34 124.9 46.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.601 ' C ' ' CG ' ' A' ' 51' ' ' PHE . . . -100.6 163.62 12.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.948 ' CD1' HD11 ' A' ' 56' ' ' LEU . 0.0 OUTLIER 171.11 -179.18 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.524 ' CE1' ' O ' ' A' ' 24' ' ' ALA . 32.8 m170 -73.76 105.8 5.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.579 ' HB3' HD13 ' A' ' 36' ' ' LEU . 22.6 mt -39.24 -51.15 1.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.548 ' CD1' ' C ' ' A' ' 54' ' ' LEU . 0.1 OUTLIER -56.11 -70.0 0.13 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.572 ' C ' HD12 ' A' ' 16' ' ' ILE . 61.3 m -35.69 -44.41 0.33 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.948 HD11 ' CD1' ' A' ' 51' ' ' PHE . 7.3 mt -67.84 -56.78 7.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.767 HD13 HD11 ' A' ' 36' ' ' LEU . 0.3 OUTLIER -45.97 -25.36 0.54 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.953 179.854 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.975 ' HB2' HG21 ' A' ' 31' ' ' THR . . . -68.73 -65.7 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.102 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.464 ' CE ' ' HB3' ' A' ' 70' ' ' GLN . 0.3 OUTLIER -72.66 -13.69 61.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.832 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.585 ' C ' ' CD2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -55.52 -17.07 4.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.997 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.433 ' N ' ' CD2' ' A' ' 60' ' ' TYR . 42.3 t -61.46 -9.29 5.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -95.57 -56.49 2.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 64' ' ' ASN . . . -123.07 176.43 16.61 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.421 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.452 ' C ' ' O ' ' A' ' 63' ' ' GLY . 2.9 t-20 34.43 51.25 0.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.853 0.359 . . . . 0.0 110.888 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.55 ' HA ' ' CE1' ' A' ' 60' ' ' TYR . 1.7 ttpm? -102.2 70.26 1.18 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.959 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.01 -28.03 7.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.871 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 154.43 56.52 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.462 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.776 ' OG ' HD13 ' A' ' 69' ' ' LEU . 1.6 t -176.12 -91.71 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.902 0.382 . . . . 0.0 110.864 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.776 HD13 ' OG ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -169.42 -173.65 1.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.464 ' HB3' ' CE ' ' A' ' 59' ' ' MET . 64.3 tt0 -124.89 157.53 35.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.958 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.428 ' HA ' ' HD2' ' A' ' 72' ' ' PRO . 16.9 t -104.25 104.17 42.72 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.595 0.712 . . . . 0.0 110.834 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 71' ' ' CYS . 54.4 Cg_endo -69.73 -12.27 32.62 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.732 2.288 . . . . 0.0 112.389 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.432 ' HB3' ' ND1' ' A' ' 49' ' ' HIS . 0.3 OUTLIER -70.49 -56.89 5.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.845 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.5 p -126.78 30.5 5.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.3 mptt 43.44 47.98 6.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.161 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.423 ' HB ' ' C ' ' A' ' 43' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.771 0.32 . . . . 0.0 111.098 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 5' ' ' GLU . 4.9 tt0 -140.0 119.99 13.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 4' ' ' GLU . 6.7 tt0 -35.35 144.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.867 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.41 ' C ' ' N ' ' A' ' 8' ' ' VAL . 10.0 mt -105.22 111.11 23.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.5 mmtm -44.63 -22.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.41 ' N ' ' C ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -142.02 160.37 55.68 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.662 0.744 . . . . 0.0 111.099 179.904 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.89 127.98 15.26 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.658 2.239 . . . . 0.0 112.301 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.674 ' CD ' HG11 ' A' ' 41' ' ' VAL . 53.7 Cg_endo -69.79 -34.68 14.0 Favored 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 122.713 2.275 . . . . 0.0 112.375 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 10' ' ' PRO . 2.2 t0 82.94 18.19 0.27 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.497 ' O ' ' CB ' ' A' ' 13' ' ' ASP . 0.3 OUTLIER -77.37 -29.21 53.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.918 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 3.8 t70 82.95 120.34 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.457 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 27.1 t -45.66 162.23 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.82 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -120.5 -16.75 6.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.157 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.577 ' CG2' ' CE1' ' A' ' 27' ' ' TYR . 78.7 mt -80.7 -70.7 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.8 p -82.33 6.39 17.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 19.1 mmm 47.4 63.19 2.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -138.33 176.67 8.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.832 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.7 mtmp? -72.73 133.23 44.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.631 HD21 ' HA ' ' A' ' 51' ' ' PHE . 9.6 mt -67.96 -8.38 36.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.0 t -91.79 -32.79 15.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.788 HG22 ' N ' ' A' ' 24' ' ' ALA . 4.3 m -65.37 -90.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.119 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.788 ' N ' HG22 ' A' ' 23' ' ' THR . . . 175.32 155.61 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.124 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.6 t -45.79 144.67 1.64 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -92.66 -14.54 55.16 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.421 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.577 ' CE1' ' CG2' ' A' ' 16' ' ' ILE . 11.8 m-30 -92.47 0.46 57.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.913 0.387 . . . . 0.0 110.921 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.5 t -52.47 -19.86 2.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.884 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -55.96 -45.35 78.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.851 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.3 t -108.62 -61.94 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.131 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.542 ' HB ' HD11 ' A' ' 54' ' ' LEU . 50.1 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.129 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.584 HD11 ' HB2' ' A' ' 57' ' ' LEU . 2.6 mt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.728 0.299 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 110.14 139.98 8.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.8 m -76.02 49.12 0.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.886 0.374 . . . . 0.0 110.857 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -179.56 40.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -132.51 124.42 28.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.674 HG11 ' CD ' ' A' ' 10' ' ' PRO . 1.5 t -97.51 134.3 36.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -135.2 133.34 6.67 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.483 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.543 ' CD2' ' O ' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -107.26 117.54 34.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.803 0.335 . . . . 0.0 110.824 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.818 HD23 ' HB3' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -59.64 115.77 3.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 20.2 p -75.28 2.85 10.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.818 ' HB3' HD23 ' A' ' 44' ' ' LEU . 2.0 tppt? -86.76 -42.73 13.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.947 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.592 ' SG ' ' CD2' ' A' ' 49' ' ' HIS . 7.2 p -124.35 -16.59 6.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 1.7 t 83.26 42.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.834 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.592 ' CD2' ' SG ' ' A' ' 47' ' ' CYS . 8.4 m170 -112.72 125.42 54.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.868 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.574 ' C ' ' CG ' ' A' ' 51' ' ' PHE . . . -96.25 162.48 13.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.98 ' CD1' HD11 ' A' ' 56' ' ' LEU . 0.0 OUTLIER 170.49 169.6 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.862 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.457 ' CE1' ' HB2' ' A' ' 14' ' ' CYS . 27.5 m170 -64.96 104.22 0.83 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.773 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.561 ' HA ' HD12 ' A' ' 56' ' ' LEU . 19.3 mt -38.9 -52.68 1.76 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.565 ' C ' HD12 ' A' ' 54' ' ' LEU . 1.0 OUTLIER -51.47 -69.75 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.907 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.4 ' CB ' HD12 ' A' ' 16' ' ' ILE . 76.4 m -38.11 -45.51 0.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.98 HD11 ' CD1' ' A' ' 51' ' ' PHE . 12.8 mt -63.85 -47.87 79.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.584 ' HB2' HD11 ' A' ' 36' ' ' LEU . 17.2 tp -43.63 -33.07 1.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.37 -66.34 0.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.465 ' SD ' ' N ' ' A' ' 60' ' ' TYR . 3.0 ppp? -56.86 -16.66 7.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.578 ' CE1' ' HA ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -66.56 -14.87 62.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 -179.879 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.3 m -63.23 -10.02 13.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -97.36 -56.85 2.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.965 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.464 ' HA3' ' NE2' ' A' ' 70' ' ' GLN . . . -117.88 -174.47 16.6 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.528 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 76' ' ' THR . 9.2 m-20 34.27 45.88 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.901 0.382 . . . . 0.0 110.941 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.578 ' HA ' ' CE1' ' A' ' 60' ' ' TYR . 2.6 ttpp -87.28 77.69 8.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.844 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -121.39 -42.0 2.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.835 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 156.84 39.48 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.46 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.804 ' HB3' HD13 ' A' ' 69' ' ' LEU . 58.6 m -155.62 -94.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.874 0.369 . . . . 0.0 110.824 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.804 HD13 ' HB3' ' A' ' 68' ' ' SER . 0.0 OUTLIER -159.45 -173.42 4.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.488 ' N ' ' HB2' ' A' ' 60' ' ' TYR . 50.4 tt0 -134.64 157.7 45.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.948 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.467 ' N ' ' HG2' ' A' ' 70' ' ' GLN . 7.6 t -98.9 101.36 11.96 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.605 0.717 . . . . 0.0 110.935 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.436 ' HB3' ' HE3' ' A' ' 59' ' ' MET . 53.3 Cg_endo -69.79 -6.79 19.45 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.667 2.244 . . . . 0.0 112.352 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.79 -68.4 0.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.6 p -111.54 10.85 21.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? 60.02 51.67 5.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.957 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.458 ' O ' ' ND2' ' A' ' 64' ' ' ASN . 1.4 m . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.114 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.885 HG22 ' HA ' ' A' ' 44' ' ' LEU . 50.4 p . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 120.753 0.311 . . . . 0.0 111.111 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -133.26 121.1 21.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -47.22 146.52 1.85 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.579 ' HB2' HG13 ' A' ' 41' ' ' VAL . 0.7 OUTLIER -99.52 123.88 44.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.958 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.688 ' O ' HG13 ' A' ' 8' ' ' VAL . 1.8 tttp -57.24 -18.75 17.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.966 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.688 HG13 ' O ' ' A' ' 7' ' ' LYS . 3.1 m -163.82 147.32 8.1 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.607 0.718 . . . . 0.0 111.175 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.88 110.34 2.56 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.66 2.24 . . . . 0.0 112.33 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -165.39 0.15 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.641 2.227 . . . . 0.0 112.364 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -101.87 40.82 1.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -100.38 -34.96 9.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.813 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.47 ' CA ' ' HG ' ' A' ' 21' ' ' LEU . 55.0 m-20 61.58 132.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.795 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.576 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 53.4 t -39.01 159.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -117.86 -25.03 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.076 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 1.017 HD11 HD23 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -74.74 -66.84 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 18' ' ' MET . 14.5 p -86.57 16.74 4.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.43 ' C ' ' O ' ' A' ' 17' ' ' CYS . 6.7 mtt 35.1 69.06 0.18 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -140.99 -177.39 5.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.9 mtpt -75.18 138.02 41.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.923 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.47 ' HG ' ' CA ' ' A' ' 13' ' ' ASP . 7.0 mt -69.82 -2.79 13.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.3 t -109.94 -10.27 14.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 55.0 p -96.24 34.33 1.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.125 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.413 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . 49.92 178.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.415 ' HA ' ' ND1' ' A' ' 52' ' ' HIS . 0.1 OUTLIER -69.72 145.42 52.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.799 -179.754 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -87.17 -30.92 18.52 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.51 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.436 ' O ' ' N ' ' A' ' 29' ' ' ASP . 11.9 m-30 -73.12 -18.17 61.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.927 0.394 . . . . 0.0 110.925 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.635 ' HA ' HD21 ' A' ' 54' ' ' LEU . 3.1 t -40.09 -27.31 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.853 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 27' ' ' TYR . 0.4 OUTLIER -54.15 -45.98 72.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.437 ' O ' ' C ' ' A' ' 31' ' ' THR . 0.2 OUTLIER -110.46 -62.66 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.172 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.516 ' HB ' HD11 ' A' ' 54' ' ' LEU . 1.3 p . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.178 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.874 HD11 HD23 ' A' ' 57' ' ' LEU . 3.7 mt . . . . . 0 C--O 1.229 0.023 0 CA-C-O 120.953 0.406 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.82 -0.94 5.14 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.507 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.624 ' HB3' HD23 ' A' ' 54' ' ' LEU . 0.4 OUTLIER 68.75 9.12 7.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.943 0.401 . . . . 0.0 110.853 -179.775 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -134.09 27.35 3.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.47 ' O ' HD12 ' A' ' 53' ' ' LEU . . . -132.45 109.49 9.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.066 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.579 HG13 ' HB2' ' A' ' 6' ' ' LEU . 0.9 OUTLIER -96.82 128.0 48.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -139.06 153.93 23.06 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.478 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.629 ' CE1' ' HG ' ' A' ' 48' ' ' SER . 16.0 p80 -104.34 153.93 20.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.808 0.337 . . . . 0.0 110.852 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.885 ' HA ' HG22 ' A' ' 3' ' ' THR . 0.1 OUTLIER -82.46 118.04 22.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.981 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 59.8 p -53.85 -14.74 1.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.14 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.505 ' CB ' HG23 ' A' ' 76' ' ' THR . 3.3 mmmt -71.76 -28.05 63.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 48' ' ' SER . 26.1 p -143.42 -44.34 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.629 ' HG ' ' CE1' ' A' ' 43' ' ' HIS . 0.3 OUTLIER 83.02 74.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.834 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.589 ' HB2' ' CE1' ' A' ' 51' ' ' PHE . 0.8 OUTLIER -116.73 -24.76 7.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.847 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.6 ' C ' ' CG ' ' A' ' 51' ' ' PHE . . . 73.98 137.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.105 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.804 ' HB2' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -172.95 159.13 3.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.93 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.576 ' CE1' ' HB2' ' A' ' 14' ' ' CYS . 42.1 m170 -60.07 98.79 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.697 ' HA ' HD12 ' A' ' 56' ' ' LEU . 28.8 mt -36.16 -43.97 0.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.784 ' C ' HD12 ' A' ' 54' ' ' LEU . 0.3 OUTLIER -60.1 -67.04 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.462 ' C ' HD12 ' A' ' 16' ' ' ILE . 90.3 m -43.59 -39.19 3.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.926 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 1.017 HD23 HD11 ' A' ' 16' ' ' ILE . 10.5 mt -68.46 -57.34 5.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.874 HD23 HD11 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -37.89 -28.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.868 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 56' ' ' LEU . . . -86.57 -60.62 1.94 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.414 ' HE2' ' HB3' ' A' ' 59' ' ' MET . 1.4 ttp -63.17 -8.53 8.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.507 ' CD2' ' N ' ' A' ' 61' ' ' CYS . 0.0 OUTLIER -78.46 -38.0 42.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.507 ' N ' ' CD2' ' A' ' 60' ' ' TYR . 85.8 m -35.16 -31.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.875 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 60' ' ' TYR . 2.1 m-20 -97.53 -71.74 0.67 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.494 ' O ' ' N ' ' A' ' 65' ' ' LYS . . . -60.27 148.0 44.25 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.514 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.584 ' N ' ' NE2' ' A' ' 70' ' ' GLN . 1.8 m-20 57.18 -80.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.914 0.387 . . . . 0.0 110.877 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 63' ' ' GLY . 0.0 OUTLIER 67.56 122.18 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.897 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -178.93 -47.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.825 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.448 ' N ' ' OH ' ' A' ' 60' ' ' TYR . . . 145.07 45.27 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.516 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.748 ' O ' HD22 ' A' ' 57' ' ' LEU . 13.2 m -158.62 -73.17 0.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.968 0.413 . . . . 0.0 110.861 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.674 ' N ' HD13 ' A' ' 69' ' ' LEU . 0.0 OUTLIER 178.6 -172.91 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.946 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.584 ' NE2' ' N ' ' A' ' 64' ' ' ASN . 3.4 tp-100 -145.79 156.7 43.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.988 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.44 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 18.1 t -89.42 109.2 29.83 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.615 0.722 . . . . 0.0 110.894 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.561 ' HD2' ' CD1' ' A' ' 51' ' ' PHE . 53.9 Cg_endo -69.75 -0.87 7.53 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.637 2.225 . . . . 0.0 112.361 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.441 ' OG ' ' N ' ' A' ' 74' ' ' CYS . 1.1 t -98.61 -87.37 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 76' ' ' THR . 14.5 p -88.18 32.89 0.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 74' ' ' CYS . 0.0 OUTLIER 34.27 33.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.901 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.505 HG23 ' CB ' ' A' ' 46' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.1 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.656 HG22 ' HA ' ' A' ' 44' ' ' LEU . 1.6 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.758 0.313 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.667 ' O ' HD23 ' A' ' 6' ' ' LEU . 9.5 tt0 -102.07 107.99 19.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -40.74 138.73 0.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.667 HD23 ' O ' ' A' ' 4' ' ' GLU . 6.3 mt -108.39 120.44 42.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -42.49 -23.52 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.469 HG12 ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -151.43 158.59 34.3 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.55 0.691 . . . . 0.0 111.161 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.469 ' HD2' HG12 ' A' ' 8' ' ' VAL . 54.3 Cg_endo -69.72 135.5 30.7 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.686 2.257 . . . . 0.0 112.4 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.409 ' HD3' HD12 ' A' ' 6' ' ' LEU . 53.9 Cg_endo -69.75 -90.84 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.672 2.248 . . . . 0.0 112.366 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 168.7 33.96 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.887 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.436 ' O ' ' CB ' ' A' ' 13' ' ' ASP . 9.1 tm-20 -101.35 -37.63 8.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.465 ' CA ' ' HG ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER 78.51 127.54 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.503 ' HB2' ' CG ' ' A' ' 52' ' ' HIS . 43.0 t -46.54 147.23 1.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.546 HD11 ' HD1' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -100.92 -23.5 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.168 179.898 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.59 HD11 HD23 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -64.87 -70.01 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 179.826 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' A' ' 18' ' ' MET . 31.5 p -95.19 20.84 8.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.942 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.427 ' C ' ' O ' ' A' ' 17' ' ' CYS . 1.1 ptp 34.58 70.85 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -135.19 -178.34 5.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.6 mttt -80.95 127.54 32.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.853 HD22 HG13 ' A' ' 41' ' ' VAL . 11.6 mt -61.81 -10.02 8.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.1 p -87.44 -38.68 15.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.731 HG22 ' N ' ' A' ' 24' ' ' ALA . 17.2 m -61.26 -92.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.163 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.731 ' N ' HG22 ' A' ' 23' ' ' THR . . . -176.84 177.55 1.31 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.128 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.472 ' CB ' ' HB3' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -71.09 125.66 27.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.899 -179.829 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.16 -0.46 65.81 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.491 ' CZ ' HG22 ' A' ' 16' ' ' ILE . 6.4 m-30 -100.5 -18.86 16.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.862 0.363 . . . . 0.0 110.891 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.22 -21.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.79 -63.71 0.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.857 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -137.69 86.99 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.176 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.414 ' CB ' HD11 ' A' ' 54' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.614 HD13 ' HB3' ' A' ' 53' ' ' LEU . 1.5 mt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.843 0.354 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.473 ' O ' ' CB ' ' A' ' 38' ' ' SER . . . -68.04 -82.87 0.15 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.507 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' A' ' 37' ' ' GLY . 0.2 OUTLIER 162.59 -34.23 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.919 0.39 . . . . 0.0 110.867 -179.787 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.883 ' O ' HD23 ' A' ' 39' ' ' LEU . 3.3 tt -89.16 19.93 4.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.609 ' HB3' HD12 ' A' ' 53' ' ' LEU . . . -110.82 151.58 27.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.081 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.853 HG13 HD22 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -120.66 140.9 43.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.062 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.414 ' C ' ' HB ' ' A' ' 3' ' ' THR . . . -142.02 131.46 4.76 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.505 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.535 ' O ' ' CG ' ' A' ' 43' ' ' HIS . 5.4 p80 -102.3 112.2 24.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.815 0.341 . . . . 0.0 110.888 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.802 HD23 ' HB2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -50.55 118.82 3.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.945 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 69.1 p -76.85 8.2 3.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.122 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.802 ' HB2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -93.02 -40.8 10.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.591 ' SG ' ' CD2' ' A' ' 49' ' ' HIS . 7.6 p -124.75 -15.63 6.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 1.3 p 84.01 33.46 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.591 ' CD2' ' SG ' ' A' ' 47' ' ' CYS . 7.5 m170 -105.09 137.5 42.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.858 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.601 ' C ' ' CG ' ' A' ' 51' ' ' PHE . . . -111.35 165.39 11.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.965 ' CD2' HD11 ' A' ' 56' ' ' LEU . 0.0 OUTLIER 172.64 -171.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.871 -179.884 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.503 ' CG ' ' HB2' ' A' ' 14' ' ' CYS . 42.1 m170 -82.4 110.76 17.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.935 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.614 ' HB3' HD13 ' A' ' 36' ' ' LEU . 24.2 mt -40.99 -70.12 0.11 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.545 ' CD1' ' C ' ' A' ' 54' ' ' LEU . 0.1 OUTLIER -39.58 -61.19 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 74.0 m -43.51 -53.1 5.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.965 HD11 ' CD2' ' A' ' 51' ' ' PHE . 4.9 mt -60.71 -60.64 3.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.497 HD22 ' O ' ' A' ' 57' ' ' LEU . 2.4 tm? -42.51 -35.32 1.03 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.34 -66.34 0.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.049 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.545 ' HE1' ' OE1' ' A' ' 70' ' ' GLN . 0.1 OUTLIER -70.86 -8.51 53.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.886 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.636 ' C ' ' CD1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -59.4 -14.43 12.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.904 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.444 ' N ' ' CD1' ' A' ' 60' ' ' TYR . 0.5 OUTLIER -69.49 -9.92 55.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.849 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -97.41 -59.47 1.78 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 65' ' ' LYS . . . -105.66 -176.78 23.99 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.528 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.447 ' OD1' ' C ' ' A' ' 76' ' ' THR . 3.5 m-20 40.66 -92.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.913 0.387 . . . . 0.0 110.941 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.569 ' HA ' ' CE2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER 58.09 30.82 19.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 179.89 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.85 -14.24 61.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.833 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 123.85 49.25 0.22 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.458 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.542 ' C ' HD13 ' A' ' 69' ' ' LEU . 19.5 p -175.52 -63.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.898 0.38 . . . . 0.0 110.878 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.557 ' CD2' ' C ' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -175.66 -173.69 0.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.546 ' O ' HD22 ' A' ' 56' ' ' LEU . 0.9 OUTLIER -133.98 152.81 52.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.451 ' C ' ' OE1' ' A' ' 70' ' ' GLN . 8.1 t -99.81 100.59 11.48 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.643 0.735 . . . . 0.0 110.871 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 71' ' ' CYS . 53.8 Cg_endo -69.78 -0.66 7.24 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.665 2.243 . . . . 0.0 112.342 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.18 -53.77 6.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.5 p -130.04 5.68 4.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.856 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.3 mptt 54.24 50.14 17.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.447 ' C ' ' OD1' ' A' ' 64' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.15 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.595 ' CG2' HD11 ' A' ' 69' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 120.711 0.291 . . . . 0.0 111.112 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.423 ' O ' HD23 ' A' ' 6' ' ' LEU . 9.8 tt0 -112.55 120.13 40.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -44.97 140.83 2.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.503 HD12 ' HG3' ' A' ' 10' ' ' PRO . 8.8 mt -97.99 113.6 25.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.9 mtmt -54.41 -18.32 4.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.687 HG13 ' HD2' ' A' ' 9' ' ' PRO . 98.9 t -140.52 138.95 19.35 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.588 0.708 . . . . 0.0 111.118 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.687 ' HD2' HG13 ' A' ' 8' ' ' VAL . 53.5 Cg_endo -69.77 110.33 2.53 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.674 2.249 . . . . 0.0 112.349 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.503 ' HG3' HD12 ' A' ' 6' ' ' LEU . 53.5 Cg_endo -69.79 -163.81 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.68 2.253 . . . . 0.0 112.306 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -120.7 20.89 11.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.792 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -67.67 -37.12 81.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.472 ' CA ' ' HG ' ' A' ' 21' ' ' LEU . 0.6 OUTLIER 65.0 129.09 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.934 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.516 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 36.8 t -42.79 160.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.839 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -121.76 -15.97 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.115 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.493 HD12 ' HB3' ' A' ' 55' ' ' CYS . 66.3 mt -82.14 -70.66 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.461 ' SG ' ' CG ' ' A' ' 19' ' ' GLU . 17.4 p -77.8 -1.76 33.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 55.34 53.59 9.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.461 ' CG ' ' SG ' ' A' ' 17' ' ' CYS . 6.5 mm-40 -128.92 -175.63 3.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.856 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.7 mtmt -79.26 139.81 37.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.574 HD21 ' HA ' ' A' ' 51' ' ' PHE . 7.0 mt -64.52 -8.0 12.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.956 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.71 -20.73 13.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.0 p -83.31 35.18 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.101 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.474 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . 51.48 178.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.082 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.71 131.49 34.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -74.71 -10.1 83.0 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.459 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -84.82 -21.23 29.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.87 0.366 . . . . 0.0 110.884 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.1 t -52.16 -17.58 1.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.829 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.5 -51.09 70.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.3 p -123.32 9.26 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' THR . . . . . 1.0 HG21 ' HB2' ' A' ' 58' ' ' ALA . 1.5 m . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.871 HD13 ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.851 0.358 . . . . 0.0 110.938 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.42 161.71 27.32 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.468 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.28 -3.58 31.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.846 0.355 . . . . 0.0 110.803 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.61 12.2 16.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.451 ' CB ' HD12 ' A' ' 53' ' ' LEU . . . -113.75 121.17 43.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.064 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.3 t -99.94 113.42 35.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.212 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -125.27 145.77 15.85 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.45 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 -121.21 123.27 41.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.86 0.362 . . . . 0.0 110.857 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.485 HD22 ' HB2' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -58.05 124.92 20.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.952 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.2 p -79.1 9.6 4.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.485 ' HB2' HD22 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -87.52 -40.75 14.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.845 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.586 ' SG ' ' CD2' ' A' ' 49' ' ' HIS . 7.6 p -124.46 -16.42 6.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 0.9 OUTLIER 83.37 38.86 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.785 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.586 ' CD2' ' SG ' ' A' ' 47' ' ' CYS . 7.6 m170 -109.85 133.6 52.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.598 ' C ' ' CG ' ' A' ' 51' ' ' PHE . . . -106.71 164.35 12.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.891 ' CD2' HD11 ' A' ' 56' ' ' LEU . 0.0 OUTLIER 171.22 -170.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.805 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.516 ' CE1' ' HB2' ' A' ' 14' ' ' CYS . 32.4 m170 -81.07 108.73 14.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.84 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.451 HD12 ' CB ' ' A' ' 40' ' ' ALA . 34.8 mt -43.24 -47.42 6.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.447 ' HA ' HD13 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -60.0 -69.0 0.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.856 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.493 ' HB3' HD12 ' A' ' 16' ' ' ILE . 90.1 m -36.61 -48.8 0.72 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.814 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.891 HD11 ' CD2' ' A' ' 51' ' ' PHE . 3.0 mt -65.53 -57.87 7.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.927 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.736 ' HG ' HD21 ' A' ' 36' ' ' LEU . 2.6 tm? -43.33 -31.26 0.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 1.0 ' HB2' HG21 ' A' ' 31' ' ' THR . . . -66.67 -66.31 0.57 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -72.24 -8.44 54.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.592 ' C ' ' CD1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -58.92 -19.05 39.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.9 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.497 ' N ' ' CD1' ' A' ' 60' ' ' TYR . 0.5 OUTLIER -60.12 -13.82 13.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -97.45 -63.61 1.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 65' ' ' LYS . . . -85.83 169.46 42.6 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.49 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 40.18 -92.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.899 0.38 . . . . 0.0 110.917 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.576 ' HA ' ' CE2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER 66.43 31.86 7.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -80.85 -21.7 40.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 132.2 52.64 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.51 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.625 ' C ' HD13 ' A' ' 69' ' ' LEU . 1.1 t -171.33 -71.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.365 . . . . 0.0 110.83 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.625 HD13 ' C ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -177.71 -174.69 0.47 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.964 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.474 ' HG2' ' N ' ' A' ' 71' ' ' CYS . 6.7 tt0 -132.14 150.99 52.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.474 ' N ' ' HG2' ' A' ' 70' ' ' GLN . 8.9 t -97.94 102.52 13.82 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.648 0.737 . . . . 0.0 110.866 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.483 ' HG3' ' CG1' ' A' ' 16' ' ' ILE . 53.6 Cg_endo -69.82 -10.27 28.1 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.67 2.247 . . . . 0.0 112.335 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.47 -60.31 2.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.5 p -122.01 20.38 10.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.12 66.39 1.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.916 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.52 HG22 ' HG ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.753 0.311 . . . . 0.0 111.175 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.777 ' O ' HD23 ' A' ' 6' ' ' LEU . 33.6 tt0 -103.84 98.49 8.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 4' ' ' GLU . 14.1 tt0 -35.08 109.41 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.928 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.777 HD23 ' O ' ' A' ' 4' ' ' GLU . 0.2 OUTLIER -68.45 -11.88 60.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.932 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.556 ' C ' HG22 ' A' ' 8' ' ' VAL . 0.2 OUTLIER 65.62 4.97 3.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 179.891 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.556 HG22 ' C ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -172.06 166.34 3.75 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.613 0.72 . . . . 0.0 111.18 179.867 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.549 ' HD2' HG12 ' A' ' 8' ' ' VAL . 53.6 Cg_endo -69.84 131.74 21.76 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.668 2.245 . . . . 0.0 112.328 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.627 ' CG ' HD13 ' A' ' 21' ' ' LEU . 53.7 Cg_endo -69.78 -90.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.64 2.227 . . . . 0.0 112.373 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.0 p30 174.77 52.28 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.51 ' O ' ' CB ' ' A' ' 13' ' ' ASP . 30.2 mp0 -144.05 -97.48 0.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 4.1 m-20 159.68 144.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.845 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.402 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 34.3 t -53.65 158.43 1.88 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.86 -18.54 7.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.149 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.64 HD12 ' CB ' ' A' ' 55' ' ' CYS . 68.1 mt -83.52 -70.75 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 14.6 p -81.47 3.02 26.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 43.14 64.76 1.11 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -137.92 -172.93 3.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.5 ' HB2' HG23 ' A' ' 23' ' ' THR . 34.7 mttt -73.33 123.03 22.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.627 HD13 ' CG ' ' A' ' 10' ' ' PRO . 7.6 mt -57.91 -11.76 2.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.987 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.6 t -93.37 -41.22 9.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.5 HG23 ' HB2' ' A' ' 20' ' ' LYS . 33.7 p -51.6 -89.01 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.178 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.48 ' HB2' ' O ' ' A' ' 23' ' ' THR . . . 174.22 171.01 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.084 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.4 t -67.83 121.27 15.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -70.09 -6.46 56.91 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.521 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.55 ' CZ ' HG22 ' A' ' 16' ' ' ILE . 8.5 m-30 -92.23 -11.81 34.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.889 0.376 . . . . 0.0 110.899 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.1 -26.04 0.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.823 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.455 ' O ' HG13 ' A' ' 30' ' ' VAL . 2.5 m-20 -45.56 -47.44 14.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.455 HG13 ' O ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -163.95 84.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.539 HG23 ' HB3' ' A' ' 27' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.709 ' CD1' HD22 ' A' ' 57' ' ' LEU . 6.5 mp . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.852 0.358 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.76 -8.35 66.26 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.514 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.44 ' CB ' HD23 ' A' ' 54' ' ' LEU . 78.1 p 52.0 69.79 0.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.822 0.344 . . . . 0.0 110.786 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.8 tp 174.31 -27.5 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.64 ' CB ' HD12 ' A' ' 53' ' ' LEU . . . -58.59 129.95 44.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.015 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.601 HG11 ' HD3' ' A' ' 10' ' ' PRO . 0.2 OUTLIER -102.31 127.26 56.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.16 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.802 ' HA3' HD21 ' A' ' 53' ' ' LEU . . . -123.58 149.04 16.85 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.474 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.777 ' ND1' ' HB2' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -124.51 95.72 4.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.828 0.347 . . . . 0.0 110.9 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.531 ' CD1' ' CD2' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -53.34 89.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.945 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.414 ' N ' ' O ' ' A' ' 43' ' ' HIS . 11.9 p -45.63 -21.18 0.09 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.128 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.39 -46.63 47.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.594 ' SG ' ' CD2' ' A' ' 49' ' ' HIS . 7.7 p -125.07 -14.79 6.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.829 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 1.5 t 84.53 34.34 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.594 ' CD2' ' SG ' ' A' ' 47' ' ' CYS . 6.4 m170 -107.91 120.78 43.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.777 ' HB2' ' ND1' ' A' ' 43' ' ' HIS . . . -96.01 164.35 12.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.912 ' CD1' HD11 ' A' ' 56' ' ' LEU . 0.0 OUTLIER 174.63 -169.83 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.812 -179.916 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.402 ' CE1' ' HB2' ' A' ' 14' ' ' CYS . 27.8 m170 -82.7 105.95 14.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.802 HD21 ' HA3' ' A' ' 42' ' ' GLY . 79.8 mt -42.18 -38.26 1.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.561 ' C ' HD12 ' A' ' 54' ' ' LEU . 0.3 OUTLIER -64.72 -68.61 0.34 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 179.884 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.64 ' CB ' HD12 ' A' ' 16' ' ' ILE . 69.4 m -41.51 -41.38 2.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.912 HD11 ' CD1' ' A' ' 51' ' ' PHE . 7.4 mt -70.33 -58.12 4.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.709 HD22 ' CD1' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -45.49 -23.19 0.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.21 -66.35 0.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.077 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -70.41 -10.91 60.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.579 ' CE1' ' HA ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -56.94 -26.65 59.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.873 -179.825 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.565 ' N ' ' CD2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -45.83 -21.48 0.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.921 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -97.46 -61.73 1.35 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 65' ' ' LYS . . . -58.46 -152.52 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.509 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 76' ' ' THR . 0.7 OUTLIER -52.97 84.83 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.868 0.366 . . . . 0.0 110.887 -179.895 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.579 ' HA ' ' CE1' ' A' ' 60' ' ' TYR . 13.8 ttpt -85.3 79.26 9.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.943 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -130.06 31.99 4.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 75.26 62.02 2.85 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.501 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.582 ' O ' HD12 ' A' ' 57' ' ' LEU . 8.2 m -165.83 -95.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.867 0.365 . . . . 0.0 110.881 -179.732 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.56 ' CD2' ' C ' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -171.97 -173.7 1.18 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.672 ' O ' HD22 ' A' ' 56' ' ' LEU . 47.1 tt0 -136.44 155.1 50.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.469 ' N ' ' HG2' ' A' ' 70' ' ' GLN . 11.9 t -101.28 100.73 14.28 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.615 0.721 . . . . 0.0 110.906 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.481 ' HG3' ' CG1' ' A' ' 16' ' ' ILE . 54.4 Cg_endo -69.72 -5.15 15.49 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.687 2.258 . . . . 0.0 112.377 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.59 -57.93 3.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.797 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.5 p -125.02 12.43 8.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt 63.03 80.82 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.499 ' O ' ' ND2' ' A' ' 64' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.092 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.814 ' CG2' HD11 ' A' ' 69' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.79 0.329 . . . . 0.0 111.146 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.29 111.45 15.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -44.12 148.96 0.37 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.683 HD11 ' NE2' ' A' ' 43' ' ' HIS . 5.7 mt -104.22 -5.05 22.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.835 ' O ' HG13 ' A' ' 8' ' ' VAL . 0.3 OUTLIER 62.37 8.05 2.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 179.819 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.835 HG13 ' O ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER 172.35 162.34 0.26 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.631 0.729 . . . . 0.0 111.166 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.771 ' HA ' HG21 ' A' ' 41' ' ' VAL . 54.0 Cg_endo -69.8 128.93 16.7 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.736 2.291 . . . . 0.0 112.277 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -90.94 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.649 2.233 . . . . 0.0 112.31 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.3 p30 175.57 41.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.707 ' HB3' HD12 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -112.97 -96.96 0.43 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.926 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 0.4 OUTLIER 159.81 145.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.49 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 48.7 t -70.88 141.1 51.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -96.6 -23.72 4.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.609 HG22 ' CZ ' ' A' ' 27' ' ' TYR . 13.7 mt -79.64 -70.56 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.411 ' SG ' ' CB ' ' A' ' 19' ' ' GLU . 14.5 p -79.93 12.51 2.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' ' 17' ' ' CYS . 3.8 mtp 37.72 38.37 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.411 ' CB ' ' SG ' ' A' ' 17' ' ' CYS . 2.1 tp10 -116.14 150.7 37.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -47.87 138.95 8.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.707 HD12 ' HB3' ' A' ' 12' ' ' GLU . 6.2 mt -64.25 -12.74 44.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.56 -20.32 19.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.991 0.424 . . . . 0.0 110.869 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.9 p -83.47 22.37 1.06 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.089 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 56.8 -178.54 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.18 119.31 14.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.806 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -69.86 -21.42 76.66 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.609 ' CZ ' HG22 ' A' ' 16' ' ' ILE . 7.4 m-30 -80.52 -10.74 59.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.929 0.395 . . . . 0.0 110.978 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.7 t -43.21 -27.61 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.849 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.2 -43.65 70.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.7 t -102.89 -46.0 10.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.537 ' HB ' HD11 ' A' ' 54' ' ' LEU . 31.0 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.15 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.817 HD21 HD13 ' A' ' 57' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.87 0.366 . . . . 0.0 110.941 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.435 ' O ' HD23 ' A' ' 39' ' ' LEU . . . 111.65 -14.19 27.27 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.481 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 63.83 23.39 13.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.884 0.373 . . . . 0.0 110.873 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.485 ' O ' HD12 ' A' ' 39' ' ' LEU . 0.6 OUTLIER -155.15 38.28 0.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.951 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -139.8 119.83 13.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.178 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.771 HG21 ' HA ' ' A' ' 9' ' ' PRO . 0.2 OUTLIER -109.5 140.17 29.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.087 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -157.04 128.72 2.22 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.49 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.683 ' NE2' HD11 ' A' ' 6' ' ' LEU . 8.0 m170 -75.42 143.47 42.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.858 0.361 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.651 HD22 ' HB2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -80.99 103.6 10.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.854 -179.88 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 68.8 p -38.54 -35.39 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.651 ' HB2' HD22 ' A' ' 44' ' ' LEU . 5.9 mttm -51.1 -47.29 61.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.601 ' HB2' ' CE1' ' A' ' 49' ' ' HIS . 31.3 p -127.11 -46.86 1.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 44' ' ' LEU . 0.3 OUTLIER 79.62 73.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.825 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.678 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 1.6 m-70 -114.73 -25.23 8.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.924 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.678 ' HB3' ' O ' ' A' ' 49' ' ' HIS . . . 83.74 133.06 0.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.706 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -173.8 173.54 3.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.571 ' O ' HD13 ' A' ' 56' ' ' LEU . 28.8 m170 -82.69 97.32 8.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.483 ' C ' HD12 ' A' ' 36' ' ' LEU . 35.9 mt -36.25 -43.65 0.37 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.872 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.815 ' N ' HD12 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -57.9 -70.2 0.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.856 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.504 ' C ' HD12 ' A' ' 16' ' ' ILE . 63.3 m -43.97 -29.46 0.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.742 HD23 ' O ' ' A' ' 70' ' ' GLN . 8.7 mp -81.12 -38.7 26.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.965 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.817 HD13 HD21 ' A' ' 36' ' ' LEU . 2.7 tp -60.3 -10.58 4.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -93.0 -36.54 12.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.517 ' HE1' ' O ' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -99.1 -8.52 25.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.576 ' CE1' ' HA ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -64.41 -25.82 68.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 -179.837 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.435 ' N ' ' CD2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -53.42 -15.56 1.09 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -97.51 -67.54 0.84 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 65' ' ' LYS . . . -77.71 176.01 54.0 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.456 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 38.94 -92.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.935 0.398 . . . . 0.0 110.841 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.576 ' HA ' ' CE1' ' A' ' 60' ' ' TYR . 0.5 OUTLIER 70.22 119.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 177.73 -32.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.862 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 143.67 40.65 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.462 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.688 ' HB3' HD13 ' A' ' 69' ' ' LEU . 58.5 m -157.3 -94.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.826 0.346 . . . . 0.0 110.84 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.814 HD11 ' CG2' ' A' ' 3' ' ' THR . 0.0 OUTLIER -164.41 -172.07 2.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.989 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.742 ' O ' HD23 ' A' ' 56' ' ' LEU . 2.4 tt0 -144.1 148.25 34.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.942 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.442 ' N ' ' HG2' ' A' ' 70' ' ' GLN . 5.5 t -80.65 111.28 21.72 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.646 0.736 . . . . 0.0 110.879 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 71' ' ' CYS . 53.1 Cg_endo -69.84 -7.95 22.36 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.651 2.234 . . . . 0.0 112.346 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.31 -87.79 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 18.5 p -86.81 28.81 0.85 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt 45.65 33.66 1.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.5 HG23 ' CB ' ' A' ' 46' ' ' LYS . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.173 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.488 ' CG2' HD11 ' A' ' 69' ' ' LEU . 2.4 p . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.698 0.285 . . . . 0.0 111.178 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -128.86 120.55 26.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.429 ' C ' HD23 ' A' ' 6' ' ' LEU . 2.9 tt0 -46.55 142.62 3.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.429 HD23 ' C ' ' A' ' 5' ' ' GLU . 4.9 mt -112.65 127.3 56.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.967 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? -65.1 -17.8 64.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -144.98 147.61 35.48 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.595 0.712 . . . . 0.0 111.178 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.8 125.23 11.88 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.695 2.263 . . . . 0.0 112.338 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.461 ' HG2' ' CD1' ' A' ' 21' ' ' LEU . 54.3 Cg_endo -69.71 -163.8 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.662 2.241 . . . . 0.0 112.357 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.465 ' OD1' ' N ' ' A' ' 11' ' ' ASP . 10.8 p-10 -119.73 90.89 3.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -170.82 -33.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.456 ' CA ' ' HG ' ' A' ' 21' ' ' LEU . 1.6 m-20 65.97 142.59 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.572 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 49.5 t -40.4 161.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.483 ' CG1' ' HG2' ' A' ' 72' ' ' PRO . 0.0 OUTLIER -119.18 -21.47 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.604 ' CD1' HD23 ' A' ' 56' ' ' LEU . 44.8 mt -76.73 -66.57 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.147 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 14.5 p -91.28 12.41 20.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 19.0 mmm 38.67 73.85 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -143.76 169.43 17.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.81 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.76 123.85 19.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.686 HD21 ' HA ' ' A' ' 51' ' ' PHE . 5.5 mt -61.13 -9.96 5.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 p -92.43 -41.38 10.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.602 HG22 ' N ' ' A' ' 24' ' ' ALA . 21.9 m -54.87 -89.86 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.177 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.602 ' N ' HG22 ' A' ' 23' ' ' THR . . . 172.7 158.43 0.11 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.107 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -42.15 146.42 0.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -87.32 -34.06 11.02 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.469 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.49 ' CE2' ' CG2' ' A' ' 16' ' ' ILE . 14.6 m-30 -78.77 1.74 22.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.903 0.382 . . . . 0.0 110.971 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.681 ' HA ' HD21 ' A' ' 54' ' ' LEU . 14.7 t -39.74 -29.35 0.06 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.839 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -48.06 -52.58 19.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.747 ' O ' HG13 ' A' ' 30' ' ' VAL . 13.7 p -176.8 90.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.132 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.755 ' OG1' HD11 ' A' ' 54' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.56 HD12 ' HA ' ' A' ' 54' ' ' LEU . 2.1 mt . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.848 0.356 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 40.38 27.56 0.16 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.81 ' HB3' HD23 ' A' ' 54' ' ' LEU . 9.4 p 61.08 174.91 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.864 0.364 . . . . 0.0 110.897 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.486 ' CB ' ' O ' ' A' ' 38' ' ' SER . 0.3 OUTLIER 82.85 29.97 0.09 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.494 ' O ' HD12 ' A' ' 53' ' ' LEU . . . -154.33 123.54 6.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.088 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.9 t -109.5 121.98 63.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -137.87 118.01 1.58 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.455 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -78.62 140.06 38.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.831 0.348 . . . . 0.0 110.825 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -72.57 97.74 2.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.966 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 44' ' ' LEU . 80.3 p -35.48 -31.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 44' ' ' LEU . 18.4 tptt -49.68 -59.04 4.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.5 ' SG ' ' CD2' ' A' ' 49' ' ' HIS . 28.4 p -118.12 -33.59 4.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.07 79.16 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.841 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.676 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 26.4 m170 -116.17 -30.56 5.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.842 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.676 ' HB3' ' O ' ' A' ' 49' ' ' HIS . . . 84.31 138.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.137 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.849 ' HB2' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -169.98 -159.88 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 -179.881 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.572 ' CE1' ' HB2' ' A' ' 14' ' ' CYS . 39.0 m170 -108.44 102.33 11.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.494 HD12 ' O ' ' A' ' 40' ' ' ALA . 28.2 mt -35.75 -65.66 0.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 1.025 ' O ' HD12 ' A' ' 54' ' ' LEU . 0.3 OUTLIER -44.26 -44.7 8.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.872 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.496 ' HB3' ' CD1' ' A' ' 16' ' ' ILE . 84.8 m -63.86 -50.4 68.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.891 HD22 ' HD3' ' A' ' 72' ' ' PRO . 14.4 mt -52.67 -43.44 65.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.471 HD22 ' CD1' ' A' ' 36' ' ' LEU . 8.2 tp -58.51 -11.05 2.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.447 ' HB2' ' CG2' ' A' ' 31' ' ' THR . . . -93.44 -35.18 13.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.064 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.451 ' CE ' ' HB3' ' A' ' 70' ' ' GLN . 1.8 ppp? -99.3 -8.42 24.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.577 ' CE1' ' HA ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -75.11 -15.48 60.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.984 -179.916 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 26.9 p -63.81 -11.29 25.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -97.43 -59.32 1.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 64' ' ' ASN . . . -113.97 -176.74 19.19 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.449 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.537 ' O ' ' CE1' ' A' ' 60' ' ' TYR . 0.7 OUTLIER 34.39 56.66 0.67 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.903 0.383 . . . . 0.0 110.903 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.577 ' HA ' ' CE1' ' A' ' 60' ' ' TYR . 0.1 OUTLIER -86.05 31.5 0.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.43 -54.77 31.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 155.84 33.53 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.456 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.598 ' CB ' HD13 ' A' ' 69' ' ' LEU . 5.3 m -145.77 -71.95 0.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.812 0.339 . . . . 0.0 110.832 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.643 ' N ' HD13 ' A' ' 69' ' ' LEU . 0.0 OUTLIER 178.44 -172.58 0.13 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.453 ' OE1' ' C ' ' A' ' 76' ' ' THR . 4.1 tp60 -133.54 157.47 45.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 72' ' ' PRO . 41.0 t -85.61 110.39 29.32 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.652 0.739 . . . . 0.0 110.897 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.891 ' HD3' HD22 ' A' ' 56' ' ' LEU . 53.1 Cg_endo -69.83 -8.77 24.45 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.6 2.2 . . . . 0.0 112.349 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.41 ' HB3' ' ND1' ' A' ' 49' ' ' HIS . 9.5 t -82.62 -71.77 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.868 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.5 ' O ' ' N ' ' A' ' 76' ' ' THR . 18.4 p -111.39 38.48 2.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.944 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 74' ' ' CYS . 61.9 mmtt 34.64 32.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.818 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.5 ' N ' ' O ' ' A' ' 74' ' ' CYS . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.118 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.483 HG22 ' HG ' ' A' ' 44' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.697 0.284 . . . . 0.0 111.161 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 5' ' ' GLU . 0.0 OUTLIER -139.15 121.39 15.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 4' ' ' GLU . 5.8 tt0 -35.04 141.18 0.07 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.885 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.0 mt -99.95 -10.6 21.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 64.7 5.97 3.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.671 HG23 ' HD2' ' A' ' 9' ' ' PRO . 4.4 p -170.4 138.8 1.38 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.626 0.727 . . . . 0.0 111.167 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.671 ' HD2' HG23 ' A' ' 8' ' ' VAL . 54.2 Cg_endo -69.75 110.32 2.52 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.686 2.257 . . . . 0.0 112.346 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 9' ' ' PRO . 53.9 Cg_endo -69.68 -165.52 0.15 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.763 2.309 . . . . 0.0 112.354 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.87 54.01 0.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.582 ' CB ' ' HB3' ' A' ' 50' ' ' ALA . 10.2 mm-40 -111.31 -37.12 5.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.849 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.401 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 7.9 t70 76.55 127.84 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.824 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.545 ' C ' HD13 ' A' ' 15' ' ' ILE . 11.4 t -55.58 165.55 0.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.545 HD13 ' C ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -120.66 -9.93 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.116 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.423 ' CD1' ' SD ' ' A' ' 59' ' ' MET . 0.6 OUTLIER -88.08 -65.97 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.872 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 28.0 p -85.83 8.18 21.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 2.6 mmm 41.17 41.14 1.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -119.22 155.76 31.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.39 121.65 8.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.933 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.504 HD23 ' NE2' ' A' ' 52' ' ' HIS . 5.9 mt -51.87 -16.67 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.877 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.459 ' HA ' ' CB ' ' A' ' 9' ' ' PRO . 18.9 t -75.63 -48.73 20.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.472 ' O ' ' HB2' ' A' ' 24' ' ' ALA . 38.4 p -51.17 -89.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.111 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' A' ' 23' ' ' THR . . . 175.4 179.34 0.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.08 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.1 t -71.91 110.59 6.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.96 -15.02 59.75 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.519 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.444 ' HB3' ' CG2' ' A' ' 31' ' ' THR . 3.5 m-30 -79.42 -14.85 58.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.925 0.393 . . . . 0.0 110.956 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.0 t -46.73 -24.23 0.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.849 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.73 -40.27 91.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.934 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.23 -57.53 4.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.444 ' CG2' ' HB3' ' A' ' 27' ' ' TYR . 73.2 p . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.817 HD12 ' HA ' ' A' ' 54' ' ' LEU . 71.2 mt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.809 0.338 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.422 ' O ' ' CB ' ' A' ' 38' ' ' SER . . . 122.09 -19.84 8.17 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.497 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.661 ' HB2' HD23 ' A' ' 54' ' ' LEU . 1.4 p 78.07 20.91 0.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.936 0.398 . . . . 0.0 110.841 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -145.93 28.31 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.916 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.78 ' O ' HD12 ' A' ' 53' ' ' LEU . . . -121.95 102.33 8.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 179.746 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 38.6 t -96.9 137.51 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.184 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -163.04 116.94 0.74 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.467 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.428 ' C ' ' HB ' ' A' ' 3' ' ' THR . 0.3 OUTLIER -61.51 137.63 58.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.879 0.371 . . . . 0.0 110.851 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.513 HD11 ' CD2' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -71.26 103.28 2.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 31.7 p -41.99 -28.94 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.161 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.68 -68.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 48' ' ' SER . 26.6 p -96.76 -37.89 10.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.812 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 0.3 OUTLIER 82.96 67.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.821 -179.857 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.71 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 25.3 m170 -114.36 -101.14 0.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.936 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.71 ' HB2' ' O ' ' A' ' 49' ' ' HIS . . . 159.18 131.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.831 ' CD2' HD11 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -170.29 -172.29 1.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.879 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.504 ' NE2' HD23 ' A' ' 21' ' ' LEU . 23.4 m170 -98.59 101.92 13.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.822 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.78 HD12 ' O ' ' A' ' 40' ' ' ALA . 72.8 mt -35.99 -32.89 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.817 ' HA ' HD12 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -68.97 -61.26 1.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 34.8 m -51.48 -30.63 20.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.803 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.852 HD22 ' HD3' ' A' ' 72' ' ' PRO . 5.5 mt -73.07 -57.37 4.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.842 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 57' ' ' LEU . 0.2 OUTLIER -46.46 -20.6 0.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.404 ' N ' ' C ' ' A' ' 56' ' ' LEU . . . -81.14 -64.0 1.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.189 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.436 ' CE ' ' HB3' ' A' ' 70' ' ' GLN . 1.0 OUTLIER -72.04 -8.52 55.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 179.869 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.576 ' CD1' ' HA ' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -62.95 -18.47 63.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.853 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -9.35 4.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.555 ' C ' ' ND2' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -91.46 -51.88 5.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -137.34 -172.12 12.42 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.46 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 50.2 34.21 8.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.819 0.343 . . . . 0.0 110.858 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.521 ' HA ' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -79.96 102.1 9.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.879 179.923 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -159.81 -46.45 0.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 68' ' ' SER . . . 165.78 75.32 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.506 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.583 ' OG ' HD13 ' A' ' 69' ' ' LEU . 2.3 t 160.87 -94.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.863 0.364 . . . . 0.0 110.891 -179.702 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.583 HD13 ' OG ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -174.21 -173.4 0.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.436 ' HB3' ' CE ' ' A' ' 59' ' ' MET . 66.5 tt0 -119.1 157.67 27.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.918 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.601 ' SG ' ' CE1' ' A' ' 51' ' ' PHE . 33.9 t -90.98 115.65 64.75 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.6 0.714 . . . . 0.0 110.864 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.852 ' HD3' HD22 ' A' ' 56' ' ' LEU . 54.2 Cg_endo -69.75 -14.4 36.06 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.365 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.431 ' HB3' ' ND1' ' A' ' 49' ' ' HIS . 8.7 t -78.0 -71.76 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.814 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 76' ' ' THR . 26.4 p -110.27 39.35 2.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 41.05 24.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 74' ' ' CYS . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.142 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.651 HG21 HD11 ' A' ' 69' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.786 0.327 . . . . 0.0 111.114 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 5' ' ' GLU . 0.4 OUTLIER -122.66 115.87 22.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.2 OUTLIER -36.31 145.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 8' ' ' VAL . 8.1 mt -113.29 117.64 32.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.73 -23.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.628 HG12 ' HD2' ' A' ' 9' ' ' PRO . 0.1 OUTLIER -150.74 148.87 24.33 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.591 0.71 . . . . 0.0 111.152 179.846 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.628 ' HD2' HG12 ' A' ' 8' ' ' VAL . 53.1 Cg_endo -69.76 127.5 14.68 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.633 2.222 . . . . 0.0 112.363 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.74 ' HD2' HG11 ' A' ' 41' ' ' VAL . 53.8 Cg_endo -69.72 -163.9 0.12 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.729 2.286 . . . . 0.0 112.34 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -125.98 49.89 1.92 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.919 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -103.09 -28.21 12.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 75.13 127.37 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.814 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.574 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 51.4 t -52.14 144.55 12.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.476 HD11 ' HD2' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -101.38 -18.8 6.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.161 179.892 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.663 HD11 HD23 ' A' ' 56' ' ' LEU . 0.8 OUTLIER -77.89 -70.49 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.128 179.87 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.4 p -79.28 -1.79 38.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 8.6 mtp 56.37 39.8 29.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -117.36 171.97 7.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.844 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.44 ' CD ' ' N ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -65.67 139.5 58.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.959 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.719 HD13 ' HG2' ' A' ' 10' ' ' PRO . 7.4 mt -71.25 0.5 7.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 p -109.49 -0.13 19.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.415 HG22 ' O ' ' A' ' 23' ' ' THR . 4.4 m -111.22 34.02 4.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.197 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 53.51 -179.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.08 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.425 ' HA ' ' ND1' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -74.7 142.29 44.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.83 -179.787 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -85.91 -18.4 59.73 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.501 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.433 ' O ' ' N ' ' A' ' 30' ' ' VAL . 8.4 m-30 -82.54 -13.38 56.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.813 0.34 . . . . 0.0 110.924 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.481 ' HB2' ' CB ' ' A' ' 38' ' ' SER . 0.1 OUTLIER -36.85 -39.82 0.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.819 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -60.5 -48.41 81.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.847 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 27' ' ' TYR . 95.4 t -83.06 -71.91 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.602 ' OG1' HD11 ' A' ' 54' ' ' LEU . 21.4 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.151 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.946 HD21 HD12 ' A' ' 57' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.81 0.338 . . . . 0.0 110.914 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.456 ' O ' HD23 ' A' ' 39' ' ' LEU . . . 57.47 13.29 10.8 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.43 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.635 ' CB ' HD23 ' A' ' 54' ' ' LEU . 2.0 t 65.05 46.23 2.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.952 0.406 . . . . 0.0 110.824 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.456 HD23 ' O ' ' A' ' 37' ' ' GLY . 0.6 OUTLIER -165.95 48.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.957 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -155.22 122.62 5.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.08 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.74 HG11 ' HD2' ' A' ' 10' ' ' PRO . 2.5 t -114.18 129.84 69.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.091 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -160.44 121.55 1.04 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.57 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 40.8 p-80 -67.76 147.19 52.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.877 0.37 . . . . 0.0 110.806 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -76.14 97.13 4.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.956 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 44' ' ' LEU . 50.3 p -34.53 -32.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.154 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 44' ' ' LEU . 8.4 tptt -47.71 -63.94 0.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.485 ' O ' ' CB ' ' A' ' 48' ' ' SER . 17.8 p -106.11 -34.1 7.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 3.0 t 82.7 64.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.705 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 0.7 OUTLIER -109.1 -100.35 0.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.705 ' HB2' ' O ' ' A' ' 49' ' ' HIS . . . 159.59 135.61 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.798 ' CD1' HD11 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -176.64 168.72 2.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.574 ' CE1' ' HB2' ' A' ' 14' ' ' CYS . 31.3 m170 -80.57 100.7 8.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.82 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.426 ' C ' ' HG ' ' A' ' 36' ' ' LEU . 42.7 mt -36.23 -30.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.778 ' C ' HD12 ' A' ' 54' ' ' LEU . 0.3 OUTLIER -74.19 -66.68 0.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.909 179.881 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 99.3 m -45.76 -33.66 3.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.798 HD11 ' CD1' ' A' ' 51' ' ' PHE . 17.0 mt -72.73 -55.92 6.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.946 HD12 HD21 ' A' ' 36' ' ' LEU . 2.5 tt -41.72 -23.91 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.965 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 56' ' ' LEU . . . -70.94 -65.98 0.67 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.07 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.0 -8.46 57.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.585 ' CD2' ' N ' ' A' ' 61' ' ' CYS . 0.0 OUTLIER -61.22 -29.81 70.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.883 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.585 ' N ' ' CD2' ' A' ' 60' ' ' TYR . 1.0 OUTLIER -57.28 -13.87 3.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -80.16 -51.48 8.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 64' ' ' ASN . . . -145.43 174.02 25.6 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.416 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.47 ' HB2' ' NE2' ' A' ' 70' ' ' GLN . 55.1 t30 38.04 50.82 1.39 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.915 0.388 . . . . 0.0 110.907 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.579 ' HA ' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -116.06 97.47 6.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -125.62 -13.12 6.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.816 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 147.87 44.18 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.498 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.603 ' C ' HD13 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -165.59 -86.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.901 0.382 . . . . 0.0 110.881 -179.708 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.651 HD11 HG21 ' A' ' 3' ' ' THR . 0.0 OUTLIER -177.73 -173.37 0.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.47 ' NE2' ' HB2' ' A' ' 64' ' ' ASN . 4.4 tp60 -129.05 156.01 44.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.979 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.587 ' HG ' ' HE2' ' A' ' 51' ' ' PHE . 15.9 t -91.33 107.58 22.59 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.605 0.717 . . . . 0.0 110.834 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.677 ' HD3' HD22 ' A' ' 56' ' ' LEU . 53.7 Cg_endo -69.79 3.09 2.99 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.737 2.291 . . . . 0.0 112.314 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.94 -84.08 0.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 75' ' ' LYS . 14.5 p -97.39 29.86 3.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 74' ' ' CYS . 10.7 mmtm 33.98 42.38 0.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.443 ' O ' ' CG2' ' A' ' 76' ' ' THR . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.779 ' CG2' HD11 ' A' ' 69' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.782 0.325 . . . . 0.0 111.189 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.463 ' O ' HD23 ' A' ' 6' ' ' LEU . 62.3 tt0 -94.12 105.43 17.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 4' ' ' GLU . 8.5 tt0 -35.05 133.0 0.32 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.3 OUTLIER -88.72 104.2 16.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 6' ' ' LEU . 0.3 OUTLIER -34.21 -34.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.958 179.816 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.474 ' N ' ' O ' ' A' ' 6' ' ' LEU . 19.6 m -129.8 152.5 79.96 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.622 0.725 . . . . 0.0 111.147 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.71 140.03 41.86 Favored 'Trans proline' 0 N--CA 1.464 -0.219 0 C-N-CA 122.718 2.279 . . . . 0.0 112.378 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.498 ' O ' ' CB ' ' A' ' 11' ' ' ASP . 53.3 Cg_endo -69.8 -34.55 14.22 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.691 2.26 . . . . 0.0 112.379 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER 82.84 38.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.887 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.486 ' HB2' HD12 ' A' ' 21' ' ' LEU . 1.5 mm-40 -103.67 -94.65 0.32 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.916 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.448 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 0.3 OUTLIER 163.5 116.73 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.478 ' N ' ' O ' ' A' ' 19' ' ' GLU . 36.4 t -37.77 156.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.71 -20.51 6.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.094 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.896 HD11 HD23 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -80.29 -70.12 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.077 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 18' ' ' MET . 14.7 p -85.0 18.73 2.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.441 ' C ' ' O ' ' A' ' 17' ' ' CYS . 0.8 OUTLIER 35.32 71.17 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 14' ' ' CYS . 25.3 mm-40 -145.8 -176.84 5.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.8 mttp -77.28 132.53 38.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.936 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.74 HD21 ' HA ' ' A' ' 51' ' ' PHE . 7.7 mt -69.15 -4.23 16.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.876 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.48 -12.84 19.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.678 HG22 ' N ' ' A' ' 24' ' ' ALA . 18.5 m -83.07 -91.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.117 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.803 ' HB1' ' OG ' ' A' ' 38' ' ' SER . . . -175.77 169.08 3.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.105 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.474 ' CB ' ' HB3' ' A' ' 54' ' ' LEU . 0.1 OUTLIER -70.68 128.19 35.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.82 -179.71 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.15 -33.88 84.5 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.528 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.485 ' O ' ' N ' ' A' ' 29' ' ' ASP . 7.3 m-85 -67.82 -21.59 65.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.859 0.361 . . . . 0.0 110.921 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.565 ' HA ' HD21 ' A' ' 54' ' ' LEU . 8.1 p -39.23 -25.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.815 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.807 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.4 OUTLIER -46.62 -64.46 0.76 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.807 HG23 ' O ' ' A' ' 29' ' ' ASP . 3.4 t -167.92 90.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.132 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.409 HG21 HD11 ' A' ' 54' ' ' LEU . 1.5 t . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.097 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.819 HD13 HD22 ' A' ' 57' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.833 0.349 . . . . 0.0 110.886 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 36' ' ' LEU . . . -37.04 146.38 0.08 OUTLIER Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.428 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.803 ' OG ' ' HB1' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -85.28 11.49 9.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.911 0.386 . . . . 0.0 110.816 -179.743 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.61 1.73 4.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.989 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.681 ' O ' HD12 ' A' ' 53' ' ' LEU . . . -71.56 66.79 0.51 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.114 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.3 t -46.07 118.42 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -127.98 129.34 6.31 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.543 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.549 ' O ' ' CG ' ' A' ' 43' ' ' HIS . 2.8 p80 -103.56 117.39 34.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.834 0.349 . . . . 0.0 110.877 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.568 HD12 ' HB2' ' A' ' 71' ' ' CYS . 1.1 mt -58.7 119.49 7.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 56.3 p -72.51 2.55 6.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.164 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.12 -43.57 16.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.593 ' SG ' ' CD2' ' A' ' 49' ' ' HIS . 6.7 p -124.42 -16.93 6.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.481 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 0.3 OUTLIER 83.29 42.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.841 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.593 ' CD2' ' SG ' ' A' ' 47' ' ' CYS . 9.0 m170 -109.88 129.06 55.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.6 ' C ' ' CG ' ' A' ' 51' ' ' PHE . . . -97.67 160.16 14.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.088 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.951 ' CD2' HD11 ' A' ' 56' ' ' LEU . 0.0 OUTLIER 173.04 175.54 0.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.923 -179.927 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.464 ' CE1' ' HB2' ' A' ' 14' ' ' CYS . 35.8 m170 -68.08 102.18 1.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.711 ' HA ' HD12 ' A' ' 56' ' ' LEU . 5.7 mt -36.28 -70.14 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.727 HD13 HD21 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -37.8 -63.16 0.49 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.872 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.406 ' C ' HD12 ' A' ' 16' ' ' ILE . 98.7 m -43.22 -51.48 6.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.951 HD11 ' CD2' ' A' ' 51' ' ' PHE . 13.8 mt -54.34 -59.2 4.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.819 HD22 HD13 ' A' ' 36' ' ' LEU . 5.8 tp -44.5 -46.0 9.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.957 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.409 ' CB ' ' CD2' ' A' ' 27' ' ' TYR . . . -59.01 -61.08 2.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.092 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -70.92 -8.67 54.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.833 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.646 ' C ' ' CD2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -64.49 -14.85 59.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.923 -179.861 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.431 ' N ' ' CD2' ' A' ' 60' ' ' TYR . 0.5 OUTLIER -69.13 -9.38 52.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -93.28 -53.83 3.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 65' ' ' LYS . . . -115.94 -168.03 15.14 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.51 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.461 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 3.1 m120 44.35 -90.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.851 0.358 . . . . 0.0 110.921 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.577 ' HA ' ' CE1' ' A' ' 60' ' ' TYR . 0.1 OUTLIER 58.31 25.84 13.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.892 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.449 ' OD2' ' C ' ' A' ' 66' ' ' ASP . 0.9 OUTLIER -72.48 -36.55 68.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 179.897 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 145.26 40.8 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.532 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.791 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -166.53 -67.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.978 0.418 . . . . 0.0 110.876 -179.714 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.779 HD11 ' CG2' ' A' ' 3' ' ' THR . 0.0 OUTLIER -171.63 -173.71 1.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.93 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.461 ' HG3' ' N ' ' A' ' 64' ' ' ASN . 4.9 tt0 -134.24 151.26 51.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.568 ' HB2' HD12 ' A' ' 44' ' ' LEU . 12.1 t -97.43 102.92 14.0 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.61 0.719 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.456 ' HG3' ' CD1' ' A' ' 16' ' ' ILE . 53.3 Cg_endo -69.8 -11.0 29.9 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.671 2.247 . . . . 0.0 112.335 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.01 -65.57 0.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.832 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.5 p -116.43 23.04 12.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.8 mttt 45.94 50.14 11.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.124 -179.972 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.893 HG21 HD11 ' A' ' 69' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.67 0.271 . . . . 0.0 111.202 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 5' ' ' GLU . 0.1 OUTLIER -128.36 110.99 12.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.969 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 4' ' ' GLU . 6.6 tt0 -35.05 143.52 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.838 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 8' ' ' VAL . 18.0 mt -94.06 115.37 27.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.965 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 6' ' ' LEU . 4.0 mmtp -38.31 -26.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.911 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.501 ' N ' ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -148.54 158.85 39.86 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.577 0.703 . . . . 0.0 111.116 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 131.49 21.22 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.645 2.23 . . . . 0.0 112.338 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.703 ' HD2' HG21 ' A' ' 41' ' ' VAL . 53.5 Cg_endo -69.79 -163.76 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.63 2.22 . . . . 0.0 112.313 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -143.39 49.22 1.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.523 ' HB2' HD12 ' A' ' 21' ' ' LEU . 57.6 mm-40 -115.61 -96.25 0.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER 160.23 136.14 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.845 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 53.0 t -47.79 162.79 0.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -114.99 -27.34 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.145 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.584 HD12 ' HB3' ' A' ' 55' ' ' CYS . 8.3 mt -81.66 -68.48 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.179 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.497 ' SG ' ' CG ' ' A' ' 19' ' ' GLU . 18.3 p -73.36 -11.67 60.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.3 29.99 17.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.497 ' CG ' ' SG ' ' A' ' 17' ' ' CYS . 7.9 mm-40 -110.05 160.25 16.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.896 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.64 138.67 22.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.756 HD21 ' HA ' ' A' ' 51' ' ' PHE . 10.5 mt -66.21 -11.88 52.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.843 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.06 -17.68 16.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.456 HG22 ' O ' ' A' ' 23' ' ' THR . 4.8 m -84.13 29.6 0.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.105 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.431 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . 51.15 176.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.059 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.411 ' CB ' ' HB3' ' A' ' 54' ' ' LEU . 19.7 t -68.25 147.22 52.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -83.79 -21.83 56.89 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.51 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.549 ' HB3' HG23 ' A' ' 31' ' ' THR . 21.3 m-85 -94.48 4.83 53.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.9 0.381 . . . . 0.0 110.929 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -42.66 -23.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 27' ' ' TYR . 0.3 OUTLIER -101.27 -38.0 8.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.824 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.99 -67.22 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.549 HG23 ' HB3' ' A' ' 27' ' ' TYR . 10.8 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.175 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.533 ' CD1' HD12 ' A' ' 57' ' ' LEU . 18.6 mt . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.781 0.324 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.79 11.51 84.53 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.516 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.9 p 37.45 78.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.913 0.387 . . . . 0.0 110.869 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 39' ' ' LEU . 5.4 tp 177.22 -28.76 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.851 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -80.47 108.12 13.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.703 HG21 ' HD2' ' A' ' 10' ' ' PRO . 2.9 t -74.76 120.19 23.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.59 ' HA3' HD21 ' A' ' 53' ' ' LEU . . . -123.56 132.74 8.6 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.431 ' O ' ' CG ' ' A' ' 43' ' ' HIS . 1.9 p80 -106.53 123.59 48.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.795 0.331 . . . . 0.0 110.877 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.602 HD12 ' CD2' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -63.01 95.06 0.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.4 HG22 ' H ' ' A' ' 45' ' ' THR . 0.0 OUTLIER -38.7 -25.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.145 179.918 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 44' ' ' LEU . 1.7 tptp -53.38 -51.61 61.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 18.7 p -120.47 -34.86 3.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.8 m 74.41 74.55 0.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.493 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 29.4 m170 -115.66 -25.98 7.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.601 ' C ' ' CG ' ' A' ' 51' ' ' PHE . . . 71.2 143.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.075 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.837 ' HB2' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -178.99 -169.08 0.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.945 ' O ' HD22 ' A' ' 56' ' ' LEU . 43.2 m170 -86.29 95.21 9.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.59 HD21 ' HA3' ' A' ' 42' ' ' GLY . 10.0 mt -35.3 -30.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.931 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.551 ' CD1' ' C ' ' A' ' 54' ' ' LEU . 0.3 OUTLIER -69.27 -61.66 1.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.955 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.584 ' HB3' HD12 ' A' ' 16' ' ' ILE . 96.7 m -49.87 -62.84 1.34 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.945 HD22 ' O ' ' A' ' 52' ' ' HIS . 0.2 OUTLIER -40.21 -52.08 2.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.533 HD12 ' CD1' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -45.04 -56.65 4.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.977 179.849 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.54 -55.56 33.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.139 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.442 ' HB2' HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -63.89 -16.33 61.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.631 ' C ' ' CD1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -70.65 -14.43 62.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.918 -179.882 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 31.2 p -60.01 -9.87 3.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -90.55 -46.63 8.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 60' ' ' TYR . . . -142.29 -174.47 14.89 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.521 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.474 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 3.4 t-20 48.1 53.66 11.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.92 0.391 . . . . 0.0 110.861 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.579 ' HA ' ' CE2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -94.15 106.7 18.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.891 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -164.07 -37.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 151.91 73.99 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.491 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.67 ' C ' HD13 ' A' ' 69' ' ' LEU . 0.6 OUTLIER 168.65 -92.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.955 0.407 . . . . 0.0 110.894 -179.697 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.893 HD11 HG21 ' A' ' 3' ' ' THR . 0.0 OUTLIER 178.11 -173.34 0.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.922 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.491 ' N ' ' HB2' ' A' ' 60' ' ' TYR . 9.2 tp60 -130.25 143.29 50.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.45 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 6.4 t -76.35 111.45 15.55 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.626 0.727 . . . . 0.0 110.938 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.577 ' HD3' HD12 ' A' ' 56' ' ' LEU . 52.9 Cg_endo -69.76 -7.74 21.82 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.668 2.246 . . . . 0.0 112.32 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.433 ' HB3' ' ND1' ' A' ' 49' ' ' HIS . 0.4 OUTLIER -82.13 -82.56 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.858 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 75' ' ' LYS . 20.2 p -99.85 34.14 2.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.856 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 74' ' ' CYS . 0.0 OUTLIER 37.0 43.56 0.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.911 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.433 ' CG2' ' HB3' ' A' ' 46' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.129 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.741 ' HA ' HG23 ' A' ' 45' ' ' THR . 0.5 OUTLIER . . . . . 0 N--CA 1.456 -0.135 0 CA-C-O 120.786 0.327 . . . . 0.0 111.148 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.449 ' N ' ' OG1' ' A' ' 3' ' ' THR . 6.1 tt0 -111.3 119.41 38.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.871 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 4' ' ' GLU . 6.3 tt0 -34.97 133.57 0.28 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.952 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.569 HD23 ' N ' ' A' ' 6' ' ' LEU . 3.1 mt -82.57 -25.85 32.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.98 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.508 ' CB ' ' O ' ' A' ' 6' ' ' LEU . 4.3 tttt 83.43 -34.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -132.82 144.34 52.46 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.708 0.766 . . . . 0.0 111.125 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.459 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 54.0 Cg_endo -69.82 110.32 2.54 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 122.606 2.204 . . . . 0.0 112.382 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.487 ' HG2' HD12 ' A' ' 21' ' ' LEU . 53.6 Cg_endo -69.7 -164.72 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.673 2.249 . . . . 0.0 112.321 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -105.14 32.61 4.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -98.25 -38.18 9.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 61.55 130.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.836 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.516 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 46.1 t -44.15 160.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.856 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -119.86 -20.26 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.579 HG22 ' CE1' ' A' ' 27' ' ' TYR . 0.9 OUTLIER -76.56 -66.25 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.153 179.857 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.4 p -81.3 -3.61 53.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.829 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 54.38 53.08 11.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -133.34 -177.74 4.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.821 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -76.17 132.31 39.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.615 HD13 HG11 ' A' ' 41' ' ' VAL . 8.2 mt -60.18 -10.05 4.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 83.3 p -86.81 -45.4 10.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.64 HG22 ' N ' ' A' ' 24' ' ' ALA . 20.0 m -51.3 -89.58 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.64 ' N ' HG22 ' A' ' 23' ' ' THR . . . 170.21 164.91 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.132 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.84 126.27 19.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -71.7 -27.62 70.63 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.49 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.579 ' CE1' HG22 ' A' ' 16' ' ' ILE . 13.7 m-30 -83.92 -0.34 50.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.874 0.369 . . . . 0.0 110.915 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.2 t -57.74 -12.32 2.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -82.35 -22.32 35.58 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.856 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.6 p -123.37 -8.39 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.19 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 42.4 p . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.086 -179.918 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.848 HD13 ' HA ' ' A' ' 54' ' ' LEU . 1.4 mt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.814 0.34 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.553 ' O ' HD23 ' A' ' 39' ' ' LEU . . . 63.99 12.95 51.15 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.454 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.9 t 61.7 59.77 1.73 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.91 0.386 . . . . 0.0 110.903 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.553 HD23 ' O ' ' A' ' 37' ' ' GLY . 0.9 OUTLIER -177.65 57.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.934 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.696 ' HB1' HD12 ' A' ' 53' ' ' LEU . . . -149.55 105.28 3.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.134 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.615 HG11 HD13 ' A' ' 21' ' ' LEU . 32.6 t -102.46 123.14 55.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -151.43 135.82 5.25 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.5 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.449 ' O ' ' C ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -89.75 103.82 16.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.838 0.351 . . . . 0.0 110.839 -179.883 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.759 HD13 ' CG2' ' A' ' 76' ' ' THR . 0.2 OUTLIER -33.59 120.38 0.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.885 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.741 HG23 ' HA ' ' A' ' 3' ' ' THR . 14.3 p -64.06 -10.65 23.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.679 ' HB2' HD22 ' A' ' 44' ' ' LEU . 4.5 mtmm -73.45 -68.26 0.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.598 ' HB2' ' CE1' ' A' ' 49' ' ' HIS . 26.4 p -96.42 -16.35 21.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER 60.39 70.66 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.819 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.711 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -115.79 -101.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.844 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.711 ' HB2' ' O ' ' A' ' 49' ' ' HIS . . . 158.32 133.18 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.023 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.626 ' CD2' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -178.99 178.04 0.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.516 ' CE1' ' HB2' ' A' ' 14' ' ' CYS . 22.9 m170 -88.02 103.51 15.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.696 HD12 ' HB1' ' A' ' 40' ' ' ALA . 24.3 mt -36.3 -29.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.848 ' HA ' HD13 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -78.11 -68.47 0.63 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.915 179.896 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 54' ' ' LEU . 57.6 m -35.61 -38.31 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.815 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.626 HD21 ' CD2' ' A' ' 51' ' ' PHE . 0.1 OUTLIER -72.72 -51.48 19.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.679 HD22 ' O ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -39.59 -25.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.91 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 56' ' ' LEU . . . -77.02 -65.46 0.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.492 ' SD ' ' CD1' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -68.97 -8.62 46.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.872 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.541 ' CZ ' ' HG3' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -64.11 -21.47 66.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 -179.792 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.05 -9.41 4.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -90.8 -54.06 4.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -135.62 -167.54 11.33 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.519 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.488 ' ND2' ' C ' ' A' ' 76' ' ' THR . 11.5 t-20 38.77 36.19 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.846 0.355 . . . . 0.0 110.905 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.541 ' HG3' ' CZ ' ' A' ' 60' ' ' TYR . 0.8 OUTLIER -85.64 77.35 9.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.906 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -114.38 -36.7 4.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 156.84 33.46 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.527 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.679 ' O ' HD22 ' A' ' 57' ' ' LEU . 66.1 m -155.06 -87.3 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.848 0.356 . . . . 0.0 110.905 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.611 HD13 ' HB3' ' A' ' 68' ' ' SER . 0.0 OUTLIER -166.88 -173.34 2.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.496 ' N ' ' HB2' ' A' ' 60' ' ' TYR . 66.4 tt0 -123.69 157.63 33.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.48 ' HG ' ' HE1' ' A' ' 51' ' ' PHE . 14.8 t -100.81 115.47 65.28 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.61 0.719 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -10.65 29.07 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.622 2.214 . . . . 0.0 112.369 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.501 ' CB ' ' HD2' ' A' ' 49' ' ' HIS . 0.3 OUTLIER -82.13 -77.87 0.21 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.825 -179.78 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 76' ' ' THR . 26.2 p -104.48 38.3 1.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.589 ' N ' ' CD ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER 37.74 31.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.828 179.91 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.759 ' CG2' HD13 ' A' ' 44' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.139 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.813 HG22 HD23 ' A' ' 44' ' ' LEU . 2.6 p . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.77 0.319 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.493 ' O ' ' CG ' ' A' ' 4' ' ' GLU . 0.6 OUTLIER -34.37 93.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 3' ' ' THR . 9.6 tt0 -58.79 158.02 8.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 8' ' ' VAL . 14.3 mt -118.36 122.48 42.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -34.29 -35.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 179.814 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 6' ' ' LEU . 1.4 m -148.04 157.13 43.58 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.625 0.726 . . . . 0.0 111.127 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.415 ' HB3' HG21 ' A' ' 41' ' ' VAL . 53.4 Cg_endo -69.81 125.77 12.5 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.697 2.265 . . . . 0.0 112.258 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.477 ' HD2' HG11 ' A' ' 41' ' ' VAL . 54.3 Cg_endo -69.72 -163.87 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.699 2.266 . . . . 0.0 112.374 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -116.26 32.19 6.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -88.54 -25.12 22.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.7 t70 65.4 128.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.468 ' N ' ' HG ' ' A' ' 21' ' ' LEU . 46.1 t -41.58 163.92 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.832 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -113.83 -24.55 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.139 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.473 HD11 ' HG3' ' A' ' 72' ' ' PRO . 0.6 OUTLIER -76.13 -70.1 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.843 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 18' ' ' MET . 30.0 p -82.07 15.28 2.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.43 ' C ' ' O ' ' A' ' 17' ' ' CYS . 6.5 mtp 35.58 51.69 0.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -130.94 165.27 23.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -56.24 136.72 52.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.961 HD21 ' HA ' ' A' ' 51' ' ' PHE . 13.7 mt -68.78 -2.0 8.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.925 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -113.68 12.53 18.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.2 p -116.92 26.87 9.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.101 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 60.07 170.75 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.418 ' HA ' ' ND1' ' A' ' 52' ' ' HIS . 2.9 t -71.6 144.9 49.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.887 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -82.56 -26.15 47.8 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.513 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.422 ' CZ ' HG22 ' A' ' 16' ' ' ILE . 10.3 m-30 -82.99 4.66 25.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.879 0.371 . . . . 0.0 110.916 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 91.4 p -60.63 -10.24 4.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.899 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -86.1 -11.46 52.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -129.35 -53.47 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.144 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.616 ' OG1' HD11 ' A' ' 54' ' ' LEU . 27.0 p . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.589 HD13 ' C ' ' A' ' 53' ' ' LEU . 44.6 mt . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.855 0.36 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 141.92 -20.86 2.5 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.484 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 43.1 t 63.61 20.34 12.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.896 0.379 . . . . 0.0 110.87 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -153.25 23.13 0.55 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.445 ' CB ' HD12 ' A' ' 53' ' ' LEU . . . -110.59 139.47 45.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.477 HG11 ' HD2' ' A' ' 10' ' ' PRO . 3.4 t -119.03 124.14 72.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.16 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.404 ' C ' ' OG1' ' A' ' 3' ' ' THR . . . -157.66 140.95 7.4 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.54 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 43' ' ' HIS . 0.3 OUTLIER -94.24 115.44 27.69 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.741 0.305 . . . . 0.0 110.914 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.813 HD23 HG22 ' A' ' 3' ' ' THR . 1.2 mt -36.49 139.35 0.18 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.858 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 p -82.58 37.49 0.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.46 -57.22 1.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.59 ' SG ' ' CD2' ' A' ' 49' ' ' HIS . 6.6 p -110.67 -16.51 13.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 1.5 m 83.04 26.43 0.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.606 ' O ' ' CZ ' ' A' ' 51' ' ' PHE . 12.1 m170 -89.46 126.33 35.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.578 ' C ' ' CG ' ' A' ' 51' ' ' PHE . . . -89.6 160.91 16.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.146 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.961 ' HA ' HD21 ' A' ' 21' ' ' LEU . 0.0 OUTLIER 170.38 -170.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 -179.908 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.63 ' O ' HD12 ' A' ' 56' ' ' LEU . 36.5 m170 -87.52 97.68 10.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.907 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.589 ' C ' HD13 ' A' ' 36' ' ' LEU . 38.4 mt -35.93 -30.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.939 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.843 ' O ' HD12 ' A' ' 54' ' ' LEU . 0.3 OUTLIER -69.9 -58.85 3.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 179.918 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.527 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 75.0 m -49.45 -47.46 48.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.845 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.842 HD21 ' CE2' ' A' ' 51' ' ' PHE . 5.6 mp -55.66 -57.77 10.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.412 ' HB2' HD11 ' A' ' 36' ' ' LEU . 15.8 tp -45.68 -26.87 0.69 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.991 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 55' ' ' CYS . . . -69.52 -66.56 0.57 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.059 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.507 ' CE ' ' O ' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -74.13 -8.38 55.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.55 ' CD1' ' HA ' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -56.13 -28.69 58.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.004 -179.882 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.475 ' N ' ' CD2' ' A' ' 60' ' ' TYR . 0.1 OUTLIER -60.64 -9.36 3.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.911 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 -83.59 -49.57 9.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.485 ' N ' ' OE1' ' A' ' 70' ' ' GLN . . . -138.25 -172.03 12.4 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.491 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 76' ' ' THR . 0.5 OUTLIER 63.28 -74.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.939 0.399 . . . . 0.0 110.895 -179.866 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.52 ' HA ' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER 41.79 82.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -151.09 59.13 0.91 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 45.36 51.24 9.53 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.447 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.599 ' C ' HD13 ' A' ' 69' ' ' LEU . 58.7 m -168.71 -96.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.863 0.363 . . . . 0.0 110.814 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.599 HD13 ' C ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -172.55 -174.05 1.12 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.951 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.627 ' O ' HD23 ' A' ' 56' ' ' LEU . 52.7 tt0 -129.18 158.0 40.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.949 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.427 ' HB3' ' C ' ' A' ' 76' ' ' THR . 4.9 t -88.96 111.47 44.94 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.653 0.739 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.576 ' HD2' ' CE1' ' A' ' 51' ' ' PHE . 53.9 Cg_endo -69.73 -16.53 37.71 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.638 2.225 . . . . 0.0 112.369 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.403 ' HB3' ' ND1' ' A' ' 49' ' ' HIS . 0.3 OUTLIER -68.73 -81.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.89 -179.847 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 19.2 p -99.37 29.71 3.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt 48.21 45.97 19.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.436 ' O ' ' ND2' ' A' ' 64' ' ' ASN . 2.5 m . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.79 ' HA ' HG23 ' A' ' 45' ' ' THR . 0.5 OUTLIER . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.728 0.299 . . . . 0.0 111.11 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 5' ' ' GLU . 0.5 OUTLIER -112.58 111.32 22.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 4' ' ' GLU . 22.9 tt0 -35.15 137.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.826 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.823 HD11 ' CD2' ' A' ' 43' ' ' HIS . 16.9 mt -86.63 -24.81 25.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.458 ' CB ' ' O ' ' A' ' 6' ' ' LEU . 5.6 tttt 81.38 -14.61 0.8 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.5 m -144.37 145.85 30.72 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.638 0.732 . . . . 0.0 111.088 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.472 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 54.4 Cg_endo -69.74 110.38 2.54 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.578 2.185 . . . . 0.0 112.37 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.608 ' HG2' HD13 ' A' ' 21' ' ' LEU . 53.8 Cg_endo -69.77 -163.83 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.685 2.257 . . . . 0.0 112.327 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -119.81 63.66 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.526 ' HB2' HD12 ' A' ' 21' ' ' LEU . 5.3 mm-40 -121.88 -25.43 5.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 65.38 123.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.572 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 42.6 t -46.02 153.03 0.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -111.09 -19.04 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.07 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.595 HD11 ' CD2' ' A' ' 56' ' ' LEU . 1.0 OUTLIER -77.73 -67.24 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.15 179.841 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.3 p -81.97 -6.66 59.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.67 43.64 15.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.959 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -122.93 159.32 28.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.973 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.88 135.96 35.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.608 HD13 ' HG2' ' A' ' 10' ' ' PRO . 7.2 mt -68.53 -7.35 31.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.46 -47.57 13.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.878 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.538 ' O ' ' HB2' ' A' ' 24' ' ' ALA . 10.7 p -55.64 -89.64 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.129 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.538 ' HB2' ' O ' ' A' ' 23' ' ' THR . . . 171.78 177.56 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.1 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.64 135.01 56.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -83.14 -20.35 60.95 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.497 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.5 m-30 -90.71 1.68 56.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.875 0.369 . . . . 0.0 110.835 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.5 t -52.72 -18.09 1.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.848 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.99 -36.59 81.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.493 ' O ' HG13 ' A' ' 30' ' ' VAL . 3.1 p -165.69 86.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.123 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.781 HD11 HD23 ' A' ' 57' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.035 0 CA-C-O 120.852 0.358 . . . . 0.0 110.929 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -91.32 19.96 43.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.489 ' O ' ' HB1' ' A' ' 24' ' ' ALA . 10.7 p 60.92 50.23 5.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.887 0.375 . . . . 0.0 110.857 -179.753 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.404 ' CG ' ' O ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -164.15 49.97 0.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -149.96 151.77 33.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.442 HG21 ' HA ' ' A' ' 9' ' ' PRO . 0.1 OUTLIER -139.83 135.11 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -151.64 122.89 1.4 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.488 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.823 ' CD2' HD11 ' A' ' 6' ' ' LEU . 7.8 m170 -81.22 100.16 8.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.784 0.326 . . . . 0.0 110.821 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.599 HD23 HG22 ' A' ' 76' ' ' THR . 2.3 tp -34.27 118.62 0.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.919 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.79 HG23 ' HA ' ' A' ' 3' ' ' THR . 41.0 p -58.79 -26.17 63.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.192 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.87 -64.73 0.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.485 ' O ' ' CB ' ' A' ' 48' ' ' SER . 32.1 p -100.38 -36.68 9.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 44' ' ' LEU . 1.5 t 81.89 68.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.709 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 0.8 OUTLIER -115.59 -103.33 0.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.709 ' HB2' ' O ' ' A' ' 49' ' ' HIS . . . 158.98 134.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.834 ' CD1' HD11 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -174.53 168.31 3.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.572 ' CE1' ' HB2' ' A' ' 14' ' ' CYS . 34.1 m170 -76.27 100.44 5.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.841 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 52' ' ' HIS . 26.6 mt -36.14 -30.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.96 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.509 ' HA ' HD13 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -73.48 -70.16 0.39 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.976 179.887 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 89.1 m -42.37 -29.12 0.24 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.834 HD11 ' CD1' ' A' ' 51' ' ' PHE . 7.0 mt -76.38 -49.19 17.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.829 HD22 ' O ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -44.25 -21.67 0.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.894 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 56' ' ' LEU . . . -77.92 -66.92 0.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.048 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.456 ' CE ' ' HB3' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -60.61 -38.22 83.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.585 ' CD2' ' HA ' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -43.52 -22.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 -179.857 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.533 ' N ' ' CD1' ' A' ' 60' ' ' TYR . 24.3 p -48.45 -29.65 4.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.947 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -97.64 -70.38 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.837 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.516 ' O ' ' N ' ' A' ' 65' ' ' LYS . . . -67.87 174.91 28.25 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.465 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.493 ' ND2' ' OE1' ' A' ' 70' ' ' GLN . 27.3 m-20 34.23 -92.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.871 0.367 . . . . 0.0 110.887 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.579 ' HA ' ' CE2' ' A' ' 60' ' ' TYR . 10.3 tttp 52.32 71.89 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.47 3.93 2.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.433 ' O ' ' CB ' ' A' ' 68' ' ' SER . . . 122.79 63.56 0.21 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.539 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.829 ' O ' HD22 ' A' ' 57' ' ' LEU . 0.5 OUTLIER 165.66 -83.63 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.848 0.356 . . . . 0.0 110.857 -179.717 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.619 HD13 ' C ' ' A' ' 68' ' ' SER . 0.0 OUTLIER 177.46 -172.4 0.11 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.572 ' O ' HD13 ' A' ' 56' ' ' LEU . 4.4 tp60 -127.01 157.7 38.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.501 ' HG ' ' HE2' ' A' ' 51' ' ' PHE . 6.0 t -91.81 112.12 53.03 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.619 0.723 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.587 ' HD3' HD22 ' A' ' 56' ' ' LEU . 53.8 Cg_endo -69.75 -8.23 23.08 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.659 2.239 . . . . 0.0 112.393 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.641 ' CB ' ' HD2' ' A' ' 49' ' ' HIS . 0.3 OUTLIER -81.28 -81.84 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 -179.891 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 76' ' ' THR . 21.2 p -100.38 33.88 2.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.882 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 74' ' ' CYS . 0.8 OUTLIER 37.19 31.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.599 HG22 HD23 ' A' ' 44' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.134 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.973 ' CG2' HD22 ' A' ' 44' ' ' LEU . 19.1 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.767 0.318 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -116.79 109.9 17.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.434 ' O ' HD23 ' A' ' 6' ' ' LEU . 0.6 OUTLIER -47.38 157.69 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.884 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 8' ' ' VAL . 1.8 mt -130.56 106.5 8.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 6' ' ' LEU . 15.9 mttt -37.32 -28.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' A' ' 6' ' ' LEU . 3.8 m -137.36 144.25 44.69 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.56 0.695 . . . . 0.0 111.173 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 126.32 13.18 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.739 2.293 . . . . 0.0 112.304 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.475 ' HG2' ' CD1' ' A' ' 21' ' ' LEU . 53.8 Cg_endo -69.81 -163.87 0.12 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.718 2.279 . . . . 0.0 112.336 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -116.52 60.28 0.73 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -121.38 -21.56 6.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 65.21 131.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.8 t -50.78 152.23 2.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.83 -12.94 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.083 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.736 HG22 ' CE2' ' A' ' 27' ' ' TYR . 9.9 mm -78.88 -70.21 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 28.0 p -86.94 2.26 49.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.919 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 55.36 42.43 30.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 20' ' ' LYS . 6.6 mm-40 -125.98 144.28 50.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -34.39 139.65 0.08 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.698 HD21 ' HA ' ' A' ' 51' ' ' PHE . 6.8 mt -64.85 -5.86 6.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -105.22 -10.38 17.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.412 ' OG1' ' CB ' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -87.91 24.43 1.78 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.198 -179.907 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.544 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . 54.7 168.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.085 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.495 ' CB ' ' SG ' ' A' ' 55' ' ' CYS . 0.4 OUTLIER -64.58 136.45 57.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 -179.758 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -84.96 -18.43 61.23 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.432 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.736 ' CE2' HG22 ' A' ' 16' ' ' ILE . 10.5 m-30 -85.7 -12.01 52.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.909 0.385 . . . . 0.0 110.93 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.548 ' HA ' HD21 ' A' ' 54' ' ' LEU . 3.5 t -49.13 -24.23 1.57 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.923 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.02 -34.93 78.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.823 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.2 m -118.29 0.31 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.135 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.873 HG21 ' HB2' ' A' ' 58' ' ' ALA . 2.9 m . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.116 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.895 ' CD2' HD22 ' A' ' 57' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.867 0.365 . . . . 0.0 110.887 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.486 ' O ' ' CB ' ' A' ' 38' ' ' SER . . . 129.65 -72.85 0.47 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.464 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 37' ' ' GLY . 2.9 t 161.02 -20.83 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.901 0.382 . . . . 0.0 110.827 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -115.13 42.57 2.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.85 ' O ' HD12 ' A' ' 53' ' ' LEU . . . -131.78 130.64 42.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.077 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.412 HG11 ' HD2' ' A' ' 10' ' ' PRO . 0.2 OUTLIER -103.27 143.91 14.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.652 ' HA3' HD21 ' A' ' 53' ' ' LEU . . . -125.37 174.71 17.45 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.486 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.446 ' O ' ' C ' ' A' ' 44' ' ' LEU . 3.2 t-160 -154.48 79.66 1.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.813 0.34 . . . . 0.0 110.861 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.973 HD22 ' CG2' ' A' ' 3' ' ' THR . 0.0 OUTLIER -34.61 109.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.404 HG23 ' H ' ' A' ' 45' ' ' THR . 0.6 OUTLIER -75.99 7.12 4.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.187 179.876 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.1 tptt -88.92 -39.74 13.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.964 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.548 ' SG ' ' CD2' ' A' ' 49' ' ' HIS . 7.3 p -125.0 -15.41 6.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 1.5 m 83.33 40.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.558 ' CE1' ' HG ' ' A' ' 73' ' ' SER . 8.1 m170 -111.93 131.78 55.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.606 ' C ' ' CG ' ' A' ' 51' ' ' PHE . . . -106.97 166.04 10.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.131 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 1.021 ' CD2' HD11 ' A' ' 56' ' ' LEU . 0.0 OUTLIER 167.36 166.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 -179.919 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.544 ' CE1' ' O ' ' A' ' 24' ' ' ALA . 48.4 m170 -61.29 100.79 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.85 HD12 ' O ' ' A' ' 40' ' ' ALA . 8.0 mt -37.92 -60.47 0.73 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.563 ' C ' HD12 ' A' ' 54' ' ' LEU . 1.0 OUTLIER -45.5 -67.23 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.495 ' SG ' ' CB ' ' A' ' 25' ' ' SER . 71.6 m -38.49 -45.18 1.02 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 1.021 HD11 ' CD2' ' A' ' 51' ' ' PHE . 10.0 mt -65.36 -57.8 7.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.895 HD22 ' CD2' ' A' ' 36' ' ' LEU . 22.3 tp -37.3 -28.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.961 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.873 ' HB2' HG21 ' A' ' 31' ' ' THR . . . -74.5 -44.55 50.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.097 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.502 ' N ' ' O ' ' A' ' 56' ' ' LEU . 2.3 ppp? -90.23 -7.87 52.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.509 ' C ' ' CD2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -69.66 -16.36 63.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 -179.833 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.48 -10.7 3.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -97.49 -58.02 2.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.892 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 64' ' ' ASN . . . -108.86 177.13 20.31 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.451 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.482 ' O ' ' CE1' ' A' ' 60' ' ' TYR . 20.9 m-20 34.12 57.73 0.62 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.867 0.365 . . . . 0.0 110.9 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.2 105.91 18.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -155.33 -36.47 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 144.36 40.25 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.474 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.74 ' HB2' HD13 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -150.21 -89.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.997 0.427 . . . . 0.0 110.898 -179.828 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.779 HD22 ' C ' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -172.0 -179.65 2.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.909 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.609 ' O ' HD22 ' A' ' 56' ' ' LEU . 10.1 tt0 -135.13 151.63 50.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.472 ' N ' ' HG2' ' A' ' 70' ' ' GLN . 12.7 t -93.94 105.72 18.43 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.624 0.726 . . . . 0.0 110.851 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.538 ' HG3' HD11 ' A' ' 16' ' ' ILE . 54.1 Cg_endo -69.7 -27.68 26.48 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.735 2.29 . . . . 0.0 112.341 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.558 ' HG ' ' CE1' ' A' ' 49' ' ' HIS . 0.3 OUTLIER -50.7 -65.24 0.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.855 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.5 p -114.79 23.55 12.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? 47.03 62.11 2.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.135 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.682 ' CG2' HD11 ' A' ' 69' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 120.775 0.321 . . . . 0.0 111.108 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.13 121.29 38.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.98 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.513 ' HG3' ' HB1' ' A' ' 40' ' ' ALA . 35.4 tt0 -38.97 145.5 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.526 ' HB2' HG13 ' A' ' 41' ' ' VAL . 3.4 mt -107.94 114.04 27.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.79 -13.53 1.81 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.962 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -157.45 159.23 30.92 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.671 0.748 . . . . 0.0 111.028 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 127.71 14.98 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.687 2.258 . . . . 0.0 112.291 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.47 ' O ' ' CB ' ' A' ' 11' ' ' ASP . 54.5 Cg_endo -69.79 -90.84 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.646 2.231 . . . . 0.0 112.386 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.47 ' CB ' ' O ' ' A' ' 10' ' ' PRO . 2.6 m-20 163.13 35.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.802 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.85 -22.89 10.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.428 ' C ' ' HG ' ' A' ' 21' ' ' LEU . 1.4 m-20 64.88 129.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.822 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.59 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 49.4 t -42.12 163.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.48 HD13 ' C ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -119.34 -24.56 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.177 179.874 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.992 HD11 HD23 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -71.33 -66.78 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.887 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 18' ' ' MET . 17.3 p -90.76 22.73 3.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.841 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.432 ' C ' ' O ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER 35.27 43.78 0.14 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.407 ' CB ' ' SG ' ' A' ' 17' ' ' CYS . 16.3 tp10 -118.42 156.63 28.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.426 ' CB ' ' OG1' ' A' ' 23' ' ' THR . 0.0 OUTLIER -52.61 148.11 7.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.95 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.764 HD21 ' CA ' ' A' ' 51' ' ' PHE . 9.8 mt -77.91 4.47 11.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -119.65 -22.13 7.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.426 ' OG1' ' CB ' ' A' ' 20' ' ' LYS . 0.8 OUTLIER -83.97 31.98 0.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.161 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 56.28 176.36 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.501 ' HB3' HD23 ' A' ' 54' ' ' LEU . 1.7 t -75.91 152.94 37.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.806 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -95.67 -16.06 40.84 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.447 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.434 ' O ' ' N ' ' A' ' 29' ' ' ASP . 12.0 m-30 -85.58 -6.64 59.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.874 0.369 . . . . 0.0 110.914 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.6 ' HA ' HD21 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -41.29 -25.48 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.842 -179.867 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 27' ' ' TYR . 0.9 OUTLIER -57.14 -58.95 5.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.852 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.0 t -86.86 -69.17 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.126 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.85 ' OG1' HD11 ' A' ' 54' ' ' LEU . 33.1 p . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 1.017 HD11 HD22 ' A' ' 57' ' ' LEU . 1.1 mt . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.897 0.38 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.7 16.15 5.27 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.3 p 46.31 54.88 7.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.932 0.396 . . . . 0.0 110.86 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -177.42 56.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.861 ' O ' HD12 ' A' ' 53' ' ' LEU . . . -161.27 92.32 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.06 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.526 HG13 ' HB2' ' A' ' 6' ' ' LEU . 0.7 OUTLIER -87.14 131.74 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -141.1 130.98 4.69 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.522 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.445 ' O ' ' ND1' ' A' ' 43' ' ' HIS . 16.3 p80 -79.61 132.89 36.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.771 0.319 . . . . 0.0 110.868 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.726 HD11 HD23 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -69.45 107.66 3.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.915 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 73.6 p -41.0 -29.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.15 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -54.59 -69.81 0.12 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 31.1 p -108.31 -31.39 7.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 44' ' ' LEU . 22.7 m 66.24 83.23 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.837 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.682 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 27.1 m170 -118.79 -27.49 5.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.682 ' HB3' ' O ' ' A' ' 49' ' ' HIS . . . 84.84 138.64 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.101 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.818 ' HB2' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -170.7 -157.14 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.909 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.59 ' CE1' ' HB2' ' A' ' 14' ' ' CYS . 30.8 m170 -111.33 97.54 6.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.861 HD12 ' O ' ' A' ' 40' ' ' ALA . 37.7 mt -35.87 -33.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.913 ' O ' HD12 ' A' ' 54' ' ' LEU . 0.5 OUTLIER -69.2 -48.67 61.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.976 179.805 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.726 ' C ' HD12 ' A' ' 16' ' ' ILE . 26.5 m -69.05 -38.72 79.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.992 HD23 HD11 ' A' ' 16' ' ' ILE . 29.5 mt -61.15 -38.01 84.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 1.017 HD22 HD11 ' A' ' 36' ' ' LEU . 26.9 tp -58.22 -31.29 67.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.953 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.79 -54.94 5.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.9 tmm? -57.51 -40.2 78.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.951 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.657 ' C ' ' CD1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -47.55 -19.9 0.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.977 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.9 p -57.97 -11.95 2.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -97.48 -63.65 1.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 64' ' ' ASN . . . -115.77 -165.41 14.43 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.488 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.551 ' ND2' ' O ' ' A' ' 76' ' ' THR . 0.7 OUTLIER 34.34 46.45 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.889 0.376 . . . . 0.0 110.87 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.568 ' HA ' ' CE2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -84.96 80.91 9.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.84 -45.63 1.88 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 150.24 43.92 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.485 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.695 ' C ' HD13 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -154.97 -74.19 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.905 0.384 . . . . 0.0 110.869 -179.723 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.726 HD23 HD11 ' A' ' 44' ' ' LEU . 0.0 OUTLIER 176.47 -173.64 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.934 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.449 ' OE1' ' C ' ' A' ' 76' ' ' THR . 4.1 tp60 -132.49 157.95 43.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.473 ' O ' ' N ' ' A' ' 75' ' ' LYS . 39.1 t -91.89 106.53 17.66 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.585 0.707 . . . . 0.0 110.887 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.85 ' HD3' HD22 ' A' ' 56' ' ' LEU . 52.9 Cg_endo -69.83 -8.34 23.35 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.651 2.234 . . . . 0.0 112.32 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.42 ' HB3' ' ND1' ' A' ' 49' ' ' HIS . 28.3 t -81.62 -48.39 11.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 20.5 p -136.92 28.65 2.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 71' ' ' CYS . 14.7 mmtt 48.9 18.5 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.551 ' O ' ' ND2' ' A' ' 64' ' ' ASN . 0.7 OUTLIER . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.766 HG22 HD12 ' A' ' 44' ' ' LEU . 1.7 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.728 0.299 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.566 ' HB3' ' CE1' ' A' ' 43' ' ' HIS . 6.7 tt0 -34.05 93.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.953 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 3' ' ' THR . 3.0 tt0 -58.25 143.3 44.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.811 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 8' ' ' VAL . 14.3 mt -94.7 111.63 23.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.934 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 6' ' ' LEU . 18.5 tttt -36.91 -28.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.605 HG12 ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -145.04 165.88 20.33 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.641 0.734 . . . . 0.0 111.127 179.875 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.605 ' HD2' HG12 ' A' ' 8' ' ' VAL . 54.0 Cg_endo -69.73 132.9 24.36 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.725 2.283 . . . . 0.0 112.339 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.735 ' HG2' HD13 ' A' ' 21' ' ' LEU . 54.4 Cg_endo -69.7 -163.98 0.12 Allowed 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.7 2.266 . . . . 0.0 112.354 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -132.31 46.74 2.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.809 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.522 ' O ' ' CB ' ' A' ' 13' ' ' ASP . 1.5 mp0 -120.78 -97.82 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.522 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 2.5 m-20 159.51 149.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.849 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.468 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 42.7 t -66.54 148.81 51.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.427 HD11 ' HD1' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -97.48 -22.84 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.07 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.531 HD11 ' CD2' ' A' ' 56' ' ' LEU . 1.1 mm -76.8 -70.78 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.081 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 25.4 p -79.53 -8.59 59.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.66 14.51 6.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.875 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -88.43 -178.36 5.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.825 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.553 ' HB2' HG23 ' A' ' 23' ' ' THR . 0.6 OUTLIER -71.55 133.05 45.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.88 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.735 HD13 ' HG2' ' A' ' 10' ' ' PRO . 6.4 mt -63.91 -8.08 10.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.2 t -102.37 -24.45 13.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.629 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 40.2 p -77.87 7.6 5.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.142 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.899 ' HB2' HD23 ' A' ' 39' ' ' LEU . . . 80.5 -176.89 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.11 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.414 ' HA ' ' ND1' ' A' ' 52' ' ' HIS . 18.9 p -81.3 115.36 20.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.11 -20.0 25.99 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.509 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.491 ' HB2' ' CD1' ' A' ' 54' ' ' LEU . 4.4 m-30 -73.64 -16.48 61.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.827 0.346 . . . . 0.0 110.91 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 77.6 p -50.18 -24.25 2.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.814 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.26 -27.23 30.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.607 HG12 ' N ' ' A' ' 31' ' ' THR . 22.6 t -103.68 -80.98 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.083 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.7 HG21 ' HB2' ' A' ' 58' ' ' ALA . 72.5 p . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.762 HD11 ' HG ' ' A' ' 57' ' ' LEU . 2.5 mp . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.902 0.382 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 146.98 -36.76 1.2 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.435 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.435 ' HA ' ' CB ' ' A' ' 54' ' ' LEU . 2.5 p 67.07 14.6 9.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.881 0.372 . . . . 0.0 110.85 -179.713 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.899 HD23 ' HB2' ' A' ' 24' ' ' ALA . 2.9 mt -149.9 52.9 0.92 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.405 ' HB3' HD12 ' A' ' 53' ' ' LEU . . . -150.92 155.83 39.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.127 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.646 HG11 ' HG3' ' A' ' 10' ' ' PRO . 21.6 t -124.21 131.07 73.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.192 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.41 ' C ' ' OG1' ' A' ' 3' ' ' THR . . . -154.34 139.04 6.5 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.462 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.602 ' CD2' ' O ' ' A' ' 43' ' ' HIS . 16.3 p-80 -95.42 115.94 28.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.867 0.365 . . . . 0.0 110.891 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.806 HD23 HG22 ' A' ' 76' ' ' THR . 9.0 tp -38.02 132.62 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.96 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.401 HG23 ' H ' ' A' ' 45' ' ' THR . 0.1 OUTLIER -75.44 2.58 11.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.76 -46.35 7.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.416 ' HB2' ' NE2' ' A' ' 49' ' ' HIS . 9.3 p -115.58 -16.82 11.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.408 ' OG ' ' C ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER 59.16 72.94 0.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.758 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.717 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 21.6 m170 -117.29 -101.11 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.717 ' HB2' ' O ' ' A' ' 49' ' ' HIS . . . 158.79 130.88 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.929 ' CD2' HD11 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -177.29 169.88 2.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.796 -179.928 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.485 ' CE1' ' O ' ' A' ' 24' ' ' ALA . 31.6 m170 -74.7 101.56 4.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.836 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 52' ' ' HIS . 5.8 mt -36.11 -48.68 0.62 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.73 HD13 ' N ' ' A' ' 55' ' ' CYS . 2.2 tm? -56.87 -70.06 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.73 ' N ' HD13 ' A' ' 54' ' ' LEU . 57.7 m -35.69 -46.26 0.42 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.929 HD11 ' CD2' ' A' ' 51' ' ' PHE . 6.8 mt -60.42 -56.41 21.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.762 ' HG ' HD11 ' A' ' 36' ' ' LEU . 2.8 tm? -46.04 -20.62 0.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.7 ' HB2' HG21 ' A' ' 31' ' ' THR . . . -75.14 -66.45 0.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.061 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.8 ptm -75.27 -8.46 56.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.94 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.561 ' CD2' ' HA ' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -57.31 -25.36 59.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.97 -179.899 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -9.21 3.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.921 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -88.2 -54.36 4.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -134.25 -171.03 12.44 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.478 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 76' ' ' THR . 7.1 t-20 69.88 -69.28 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.851 0.358 . . . . 0.0 110.89 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.469 ' HA ' ' CE2' ' A' ' 60' ' ' TYR . 9.4 mmmt 34.34 87.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -160.95 57.41 0.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 44.67 51.21 8.15 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.506 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.547 ' C ' HD13 ' A' ' 69' ' ' LEU . 58.3 m -168.26 -98.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.924 0.392 . . . . 0.0 110.832 -179.739 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.607 HD21 HD13 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -172.33 -174.01 1.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.606 ' O ' HD13 ' A' ' 56' ' ' LEU . 4.1 tp-100 -115.28 157.75 23.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.438 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 43.4 t -98.18 111.7 60.18 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.644 0.735 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.818 ' HD3' HD22 ' A' ' 56' ' ' LEU . 53.0 Cg_endo -69.86 3.92 2.54 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.612 2.208 . . . . 0.0 112.341 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.565 ' HG ' ' CE1' ' A' ' 49' ' ' HIS . 0.0 OUTLIER -100.69 -72.22 0.68 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 -179.857 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 76' ' ' THR . 20.2 p -111.28 30.19 7.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 74' ' ' CYS . 0.1 OUTLIER 33.65 34.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.927 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.806 HG22 HD23 ' A' ' 44' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.183 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASN . . . . . 0.469 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 5.8 p30 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.83 0.348 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.561 ' CE1' ' O ' ' A' ' 67' ' ' GLY . 0.1 OUTLIER -108.39 2.61 22.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.961 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.513 HG22 HD23 ' A' ' 44' ' ' LEU . 1.1 p -124.34 135.08 53.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.158 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.568 ' HB3' ' CE1' ' A' ' 43' ' ' HIS . 36.7 tt0 -38.21 92.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.62 ' O ' HD23 ' A' ' 6' ' ' LEU . 15.0 tt0 -52.63 160.61 0.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.629 HD21 ' HD2' ' A' ' 43' ' ' HIS . 18.0 mt -124.69 112.71 17.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.949 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 6' ' ' LEU . 2.9 tptt -37.33 -28.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.955 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.495 ' N ' ' O ' ' A' ' 6' ' ' LEU . 2.7 m -143.96 146.93 36.15 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.641 0.734 . . . . 0.0 111.13 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.708 ' HB3' HG21 ' A' ' 41' ' ' VAL . 54.3 Cg_endo -69.81 130.49 19.37 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.698 2.265 . . . . 0.0 112.325 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.763 ' HD2' HG11 ' A' ' 41' ' ' VAL . 53.6 Cg_endo -69.75 -163.84 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.701 2.268 . . . . 0.0 112.307 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -114.15 22.96 13.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -83.91 -21.5 31.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 64.29 136.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.591 ' C ' HD13 ' A' ' 15' ' ' ILE . 13.5 t -49.88 166.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.668 HG21 ' HA ' ' A' ' 73' ' ' SER . 0.0 OUTLIER -123.9 -14.52 5.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.13 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.562 HG22 ' CE2' ' A' ' 27' ' ' TYR . 0.7 OUTLIER -81.29 -66.23 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.046 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.0 p -85.85 -4.81 59.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.964 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.4 mtp 58.65 45.26 16.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -125.17 161.43 26.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.6 mttp -52.96 132.12 36.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.523 HD21 ' HA ' ' A' ' 51' ' ' PHE . 6.4 mt -65.18 -5.49 6.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -87.8 -44.36 11.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.404 ' O ' ' HB2' ' A' ' 24' ' ' ALA . 0.6 OUTLIER -55.11 -93.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.143 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.404 ' HB2' ' O ' ' A' ' 23' ' ' THR . . . 178.91 -176.78 0.25 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 t -66.42 132.1 47.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -79.12 -26.82 57.2 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.533 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.592 ' HB3' HG23 ' A' ' 31' ' ' THR . 13.1 m-30 -84.53 -3.35 58.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.848 0.356 . . . . 0.0 110.916 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.21 -25.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.91 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 27' ' ' TYR . 4.0 m-20 -63.07 -59.02 5.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.819 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -127.96 91.17 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.592 HG23 ' HB3' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -149.26 144.12 26.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.199 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.42 ' CG ' ' O ' ' A' ' 32' ' ' ASP . 6.3 p-10 -84.15 50.4 1.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.887 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.535 ' HB3' HD13 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -63.21 127.71 32.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.761 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.02 -66.27 0.93 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -133.23 6.11 3.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.076 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.732 HD13 ' HB3' ' A' ' 53' ' ' LEU . 2.2 mt -82.57 4.66 23.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.536 ' O ' HD22 ' A' ' 54' ' ' LEU . . . 39.99 -99.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.544 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.0 p 177.31 48.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.926 0.393 . . . . 0.0 110.853 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.4 tp -177.69 49.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.922 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -133.45 112.15 11.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.082 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.763 HG11 ' HD2' ' A' ' 10' ' ' PRO . 13.0 t -96.03 119.19 43.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.101 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -140.68 136.84 7.86 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.629 ' HD2' HD21 ' A' ' 6' ' ' LEU . 30.4 p80 -92.64 108.84 20.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.78 0.324 . . . . 0.0 110.823 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.59 HD13 ' HB2' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -37.95 125.57 1.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.7 p -58.25 -30.07 66.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.59 ' HB2' HD13 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -52.39 -68.1 0.2 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.869 179.859 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.621 ' SG ' HG21 ' A' ' 76' ' ' THR . 10.2 p -96.9 -38.18 9.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 0.3 OUTLIER 82.75 71.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.808 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.701 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 30.7 m170 -117.86 -99.98 0.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.86 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.701 ' HB2' ' O ' ' A' ' 49' ' ' HIS . . . 158.99 133.0 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.19 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 1.008 ' CD2' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -176.58 148.62 0.73 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.91 -179.86 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.661 ' O ' HD12 ' A' ' 56' ' ' LEU . 33.2 m170 -48.55 99.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.83 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.732 ' HB3' HD13 ' A' ' 36' ' ' LEU . 14.4 mt -35.85 -61.42 0.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.853 ' O ' HD12 ' A' ' 54' ' ' LEU . 0.3 OUTLIER -42.22 -58.4 2.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.553 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 66.6 m -43.25 -60.8 1.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 1.008 HD21 ' CD2' ' A' ' 51' ' ' PHE . 5.4 mp -45.46 -58.36 3.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.647 HD12 ' CD1' ' A' ' 60' ' ' TYR . 7.6 tp -41.02 -24.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.553 ' HB3' ' O ' ' A' ' 55' ' ' CYS . . . -70.38 -66.74 0.56 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.067 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.473 ' CE ' ' HG2' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -76.76 -7.87 56.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.647 ' CD1' HD12 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -62.86 -19.51 64.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.885 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.01 -9.19 36.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.844 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.413 ' O ' ' NZ ' ' A' ' 65' ' ' LYS . 1.1 t-20 -91.53 -55.58 3.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.959 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 64' ' ' ASN . . . -119.44 -167.74 13.76 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.433 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.481 ' ND2' ' HA ' ' A' ' 70' ' ' GLN . 5.4 m-20 35.81 53.95 0.89 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.935 0.398 . . . . 0.0 110.855 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.413 ' NZ ' ' O ' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -88.98 104.45 16.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 179.887 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -157.01 -47.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.561 ' O ' ' CE1' ' A' ' 2' ' ' TYR . . . 162.37 32.45 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.496 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.587 ' C ' HD13 ' A' ' 69' ' ' LEU . 21.2 p -152.5 -95.55 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.869 0.366 . . . . 0.0 110.877 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.643 ' HA ' ' CD2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER 177.32 174.83 0.44 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.695 ' O ' HD23 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -110.81 157.59 19.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.968 179.93 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.539 ' SG ' ' CZ ' ' A' ' 51' ' ' PHE . 5.5 t -85.2 114.86 58.54 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.54 0.686 . . . . 0.0 110.91 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.471 ' HG2' ' CG1' ' A' ' 15' ' ' ILE . 54.1 Cg_endo -69.77 -26.84 27.11 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.654 2.236 . . . . 0.0 112.385 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.668 ' HA ' HG21 ' A' ' 15' ' ' ILE . 9.4 t -57.95 -71.79 0.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 21.1 p -107.83 31.35 5.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.95 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.5 mmtm 48.48 33.11 3.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.621 HG21 ' SG ' ' A' ' 47' ' ' CYS . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.808 0.337 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.53 ' CE2' ' HB2' ' A' ' 68' ' ' SER . 0.0 OUTLIER -111.14 -3.03 15.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.997 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.43 ' HB ' ' C ' ' A' ' 43' ' ' HIS . 0.1 OUTLIER -108.47 119.46 39.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.146 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 5' ' ' GLU . 4.8 tt0 -84.83 107.59 17.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 4' ' ' GLU . 8.8 tt0 -35.06 133.47 0.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.514 HD23 ' N ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -85.89 103.03 14.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.947 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -37.31 -28.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.837 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.495 ' N ' ' O ' ' A' ' 6' ' ' LEU . 0.9 OUTLIER -136.01 144.09 46.88 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.662 0.744 . . . . 0.0 111.104 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 138.83 38.48 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.656 2.238 . . . . 0.0 112.325 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 11' ' ' ASP . 53.3 Cg_endo -69.69 -34.36 14.97 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.748 2.299 . . . . 0.0 112.331 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 10' ' ' PRO . 1.1 t0 83.0 10.62 0.55 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.487 ' O ' ' CB ' ' A' ' 13' ' ' ASP . 1.7 mm-40 -67.89 -93.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 1.1 t0 161.21 115.89 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.489 ' N ' ' O ' ' A' ' 19' ' ' GLU . 37.3 t -39.44 144.3 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -100.06 -13.97 8.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.14 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.661 HD11 HD23 ' A' ' 56' ' ' LEU . 74.5 mt -84.71 -71.89 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.074 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.46 ' SG ' ' CB ' ' A' ' 19' ' ' GLU . 20.8 p -79.76 3.61 18.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 56.19 25.7 9.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 14' ' ' CYS . 12.3 tp10 -105.43 161.7 14.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.44 ' HB2' HG22 ' A' ' 23' ' ' THR . 5.4 mmtt -58.82 143.9 45.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.861 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.639 HD21 ' HA ' ' A' ' 51' ' ' PHE . 10.7 mt -79.82 12.34 2.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -102.02 -47.48 4.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.861 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.548 HG23 ' H ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -58.32 -90.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.141 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.548 ' H ' HG23 ' A' ' 23' ' ' THR . . . -178.49 165.31 1.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.477 ' CB ' ' HB3' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -54.81 112.06 0.96 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.727 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.52 -21.36 57.47 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.498 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.564 ' CE2' HG22 ' A' ' 16' ' ' ILE . 3.3 m-85 -72.49 -22.14 61.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.834 0.35 . . . . 0.0 110.896 -179.763 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.0 p -38.31 -28.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -45.05 -64.06 0.79 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 179.909 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.4 m -108.71 -6.12 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.216 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . 1.08 HG21 ' HB2' ' A' ' 58' ' ' ALA . 0.5 OUTLIER -115.99 64.81 0.7 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.173 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -96.32 64.24 2.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.22 157.87 0.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.49 33.71 4.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -134.47 -41.64 0.79 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.078 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.564 HD11 ' HB2' ' A' ' 57' ' ' LEU . 72.2 mt -90.95 -78.4 0.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 39' ' ' LEU . . . 101.65 100.84 2.49 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.512 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.511 ' HB3' HD23 ' A' ' 54' ' ' LEU . 4.8 p -40.11 94.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.923 0.392 . . . . 0.0 110.82 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.497 ' CB ' ' O ' ' A' ' 38' ' ' SER . 0.4 OUTLIER 161.31 -21.72 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.956 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.701 ' CB ' HD12 ' A' ' 53' ' ' LEU . . . -82.46 101.23 10.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.07 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.2 t -79.6 116.87 24.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -129.56 141.74 12.91 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.422 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.597 ' CE1' ' HA ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -120.63 127.34 51.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.819 0.342 . . . . 0.0 110.894 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.4 mt -62.54 122.39 15.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 2' ' ' TYR . 16.1 p -80.51 9.23 6.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.148 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.19 -36.54 14.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.592 ' SG ' ' CD2' ' A' ' 49' ' ' HIS . 7.6 p -124.52 -16.23 6.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.885 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.597 ' HA ' ' CE1' ' A' ' 43' ' ' HIS . 2.1 t 83.42 39.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.592 ' CD2' ' SG ' ' A' ' 47' ' ' CYS . 7.9 m170 -109.51 149.42 29.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.825 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.603 ' C ' ' CG ' ' A' ' 51' ' ' PHE . . . -122.55 163.25 20.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.045 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.991 ' CD1' HD11 ' A' ' 56' ' ' LEU . 0.0 OUTLIER 169.88 173.84 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.856 -179.886 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.508 ' CD2' HD23 ' A' ' 21' ' ' LEU . 30.1 m170 -66.8 111.43 3.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.701 HD12 ' CB ' ' A' ' 40' ' ' ALA . 15.2 mt -43.37 -60.7 1.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.632 HD21 ' O ' ' A' ' 31' ' ' THR . 0.9 OUTLIER -46.32 -65.23 0.58 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.967 179.899 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.491 ' HB3' ' CD1' ' A' ' 16' ' ' ILE . 69.7 m -39.55 -50.77 2.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.991 HD11 ' CD1' ' A' ' 51' ' ' PHE . 7.7 mt -60.21 -58.57 7.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.004 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.564 ' HB2' HD11 ' A' ' 36' ' ' LEU . 9.2 tp -40.26 -39.95 1.04 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.908 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 1.08 ' HB2' HG21 ' A' ' 31' ' ' THR . . . -66.77 -66.23 0.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.076 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.482 ' SD ' HD11 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -64.13 -8.85 13.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.611 ' C ' ' CD2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -67.49 -17.08 64.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 -179.882 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 46.9 t -62.61 -9.37 8.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.966 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -97.02 -57.69 2.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 64' ' ' ASN . . . -118.88 179.65 16.81 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.452 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 63' ' ' GLY . 5.9 t-20 34.43 45.87 0.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.882 0.372 . . . . 0.0 110.904 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.473 ' HA ' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -78.76 68.42 4.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.931 179.872 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.441 ' CB ' ' OH ' ' A' ' 2' ' ' TYR . 0.6 OUTLIER -115.13 31.25 6.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.847 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.84 56.08 20.92 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.492 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.587 ' CB ' HD13 ' A' ' 69' ' ' LEU . 16.1 m -164.26 -73.14 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.857 0.36 . . . . 0.0 110.838 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.708 ' N ' HD13 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -179.89 -178.3 0.43 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.542 ' O ' HD22 ' A' ' 56' ' ' LEU . 30.2 tt0 -137.56 154.19 49.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.468 ' N ' ' HG2' ' A' ' 70' ' ' GLN . 36.6 t -100.04 100.16 10.89 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.606 0.717 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.409 ' HG3' ' CG1' ' A' ' 16' ' ' ILE . 53.9 Cg_endo -69.75 0.37 5.74 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.657 2.238 . . . . 0.0 112.302 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.58 ' HG ' ' CE1' ' A' ' 49' ' ' HIS . 0.1 OUTLIER -85.05 -63.14 1.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.869 -179.843 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.3 p -118.77 18.73 13.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.854 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 44.45 50.81 8.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.945 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.877 0.37 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.852 ' O ' HG23 ' A' ' 45' ' ' THR . 0.2 OUTLIER -105.28 -22.38 13.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.874 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.476 ' HB ' ' N ' ' A' ' 43' ' ' HIS . 0.5 OUTLIER -103.3 136.4 43.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.129 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.414 ' O ' HD23 ' A' ' 6' ' ' LEU . 70.6 tt0 -102.6 115.08 29.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -39.26 145.39 0.11 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.945 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.414 HD23 ' O ' ' A' ' 4' ' ' GLU . 16.4 mt -112.53 139.71 47.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.54 ' O ' HG13 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -59.63 -16.21 24.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 179.844 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.54 HG13 ' O ' ' A' ' 7' ' ' LYS . 0.3 OUTLIER -160.08 153.96 19.47 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.615 0.721 . . . . 0.0 111.114 179.876 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 127.99 15.44 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.752 2.301 . . . . 0.0 112.3 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.803 ' HD2' HG11 ' A' ' 41' ' ' VAL . 53.0 Cg_endo -69.84 -163.83 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.708 2.272 . . . . 0.0 112.321 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.25 50.23 1.33 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -111.87 -26.95 8.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 65.39 128.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.814 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.465 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 47.0 t -40.6 157.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -117.32 -20.54 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.135 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.882 HD11 HD23 ' A' ' 56' ' ' LEU . 0.6 OUTLIER -74.02 -69.97 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.844 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 28.3 p -81.12 2.12 28.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 2.3 mtp 52.36 50.84 17.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.905 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -128.99 -178.38 4.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.3 mttt -70.77 139.99 51.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.647 HD21 ' HA ' ' A' ' 51' ' ' PHE . 7.5 mt -70.58 -0.02 7.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.986 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 p -113.52 -11.76 13.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.554 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 0.8 OUTLIER -86.67 10.64 15.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.083 -179.904 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 23' ' ' THR . . . 75.27 170.78 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.459 ' CB ' ' HB3' ' A' ' 54' ' ' LEU . 0.3 OUTLIER -73.44 124.31 25.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.844 -179.815 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -70.87 -15.05 73.62 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.513 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -77.86 -24.77 48.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.941 0.4 . . . . 0.0 110.909 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.8 t -43.09 -28.1 0.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.65 -45.16 9.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.857 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.523 HG22 ' O ' ' A' ' 30' ' ' VAL . 11.1 p -134.27 2.49 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.127 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.975 HG21 ' HB2' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -118.48 92.37 3.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.198 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 34' ' ' LYS . 37.8 t0 -85.4 15.16 4.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.827 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.693 ' CB ' HD22 ' A' ' 54' ' ' LEU . 19.6 t 42.01 -92.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.048 0.451 . . . . 0.0 110.905 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -176.7 -56.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.928 179.888 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -139.66 5.92 2.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.055 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.767 HD11 HD13 ' A' ' 57' ' ' LEU . 56.2 mt -74.09 -33.27 63.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.24 3.75 13.67 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.492 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 49.61 26.36 1.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.892 0.377 . . . . 0.0 110.876 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.405 ' O ' ' CG ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -127.97 33.24 4.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -141.38 150.43 42.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.046 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.803 HG11 ' HD2' ' A' ' 10' ' ' PRO . 0.5 OUTLIER -116.3 122.11 69.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.409 ' C ' ' HB ' ' A' ' 3' ' ' THR . . . -134.1 135.51 8.04 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.503 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.476 ' N ' ' HB ' ' A' ' 3' ' ' THR . 2.6 p80 -111.86 123.1 49.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.812 0.339 . . . . 0.0 110.771 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.454 ' CD2' ' HB2' ' A' ' 2' ' ' TYR . 0.1 OUTLIER -55.01 129.28 37.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.852 HG23 ' O ' ' A' ' 2' ' ' TYR . 10.5 p -84.3 24.03 1.01 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -108.03 -40.33 5.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.546 ' SG ' ' CD2' ' A' ' 49' ' ' HIS . 7.5 p -124.44 -16.49 6.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.874 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 1.3 t 83.13 31.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.546 ' CD2' ' SG ' ' A' ' 47' ' ' CYS . 8.9 m170 -100.34 124.9 46.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.601 ' C ' ' CG ' ' A' ' 51' ' ' PHE . . . -100.6 163.62 12.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.948 ' CD1' HD11 ' A' ' 56' ' ' LEU . 0.0 OUTLIER 171.11 -179.18 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.524 ' CE1' ' O ' ' A' ' 24' ' ' ALA . 32.8 m170 -73.76 105.8 5.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.579 ' HB3' HD13 ' A' ' 36' ' ' LEU . 22.6 mt -39.24 -51.15 1.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.693 HD22 ' CB ' ' A' ' 33' ' ' SER . 0.1 OUTLIER -56.11 -70.0 0.13 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.572 ' C ' HD12 ' A' ' 16' ' ' ILE . 61.3 m -35.69 -44.41 0.33 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.948 HD11 ' CD1' ' A' ' 51' ' ' PHE . 7.3 mt -67.84 -56.78 7.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.767 HD13 HD11 ' A' ' 36' ' ' LEU . 0.3 OUTLIER -45.97 -25.36 0.54 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.953 179.854 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.975 ' HB2' HG21 ' A' ' 31' ' ' THR . . . -68.73 -65.7 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.102 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.464 ' CE ' ' HB3' ' A' ' 70' ' ' GLN . 0.3 OUTLIER -72.66 -13.69 61.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.832 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.585 ' C ' ' CD2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -55.52 -17.07 4.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.997 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.433 ' N ' ' CD2' ' A' ' 60' ' ' TYR . 42.3 t -61.46 -9.29 5.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -95.57 -56.49 2.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 64' ' ' ASN . . . -123.07 176.43 16.61 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.421 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.452 ' C ' ' O ' ' A' ' 63' ' ' GLY . 2.9 t-20 34.43 51.25 0.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.853 0.359 . . . . 0.0 110.888 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.55 ' HA ' ' CE1' ' A' ' 60' ' ' TYR . 1.7 ttpm? -102.2 70.26 1.18 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.959 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.01 -28.03 7.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.871 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 154.43 56.52 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.462 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.776 ' OG ' HD13 ' A' ' 69' ' ' LEU . 1.6 t -176.12 -91.71 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.902 0.382 . . . . 0.0 110.864 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.776 HD13 ' OG ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -169.42 -173.65 1.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.464 ' HB3' ' CE ' ' A' ' 59' ' ' MET . 64.3 tt0 -124.89 157.53 35.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.958 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.428 ' HA ' ' HD2' ' A' ' 72' ' ' PRO . 16.9 t -104.25 104.17 42.72 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.595 0.712 . . . . 0.0 110.834 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 71' ' ' CYS . 54.4 Cg_endo -69.73 -12.27 32.62 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.732 2.288 . . . . 0.0 112.389 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.432 ' HB3' ' ND1' ' A' ' 49' ' ' HIS . 0.3 OUTLIER -70.49 -56.89 5.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.845 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.5 p -126.78 30.5 5.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.3 mptt 43.44 47.98 6.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.161 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.823 0.344 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.522 ' CE1' ' HB2' ' A' ' 68' ' ' SER . 0.1 OUTLIER -106.97 -19.94 13.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 -179.914 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.423 ' HB ' ' C ' ' A' ' 43' ' ' HIS . 0.1 OUTLIER -117.4 170.63 8.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.098 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 5' ' ' GLU . 4.9 tt0 -140.0 119.99 13.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 4' ' ' GLU . 6.7 tt0 -35.35 144.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.867 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.41 ' C ' ' N ' ' A' ' 8' ' ' VAL . 10.0 mt -105.22 111.11 23.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.5 mmtm -44.63 -22.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.41 ' N ' ' C ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -142.02 160.37 55.68 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.662 0.744 . . . . 0.0 111.099 179.904 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.89 127.98 15.26 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.658 2.239 . . . . 0.0 112.301 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.674 ' CD ' HG11 ' A' ' 41' ' ' VAL . 53.7 Cg_endo -69.79 -34.68 14.0 Favored 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 122.713 2.275 . . . . 0.0 112.375 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 10' ' ' PRO . 2.2 t0 82.94 18.19 0.27 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.497 ' O ' ' CB ' ' A' ' 13' ' ' ASP . 0.3 OUTLIER -77.37 -29.21 53.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.918 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 3.8 t70 82.95 120.34 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.457 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 27.1 t -45.66 162.23 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.82 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -120.5 -16.75 6.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.157 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.577 ' CG2' ' CE1' ' A' ' 27' ' ' TYR . 78.7 mt -80.7 -70.7 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.8 p -82.33 6.39 17.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 19.1 mmm 47.4 63.19 2.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -138.33 176.67 8.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.832 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.7 mtmp? -72.73 133.23 44.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.631 HD21 ' HA ' ' A' ' 51' ' ' PHE . 9.6 mt -67.96 -8.38 36.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.0 t -91.79 -32.79 15.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.788 HG22 ' N ' ' A' ' 24' ' ' ALA . 4.3 m -65.37 -90.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.119 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.788 ' N ' HG22 ' A' ' 23' ' ' THR . . . 175.32 155.61 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.124 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.6 t -45.79 144.67 1.64 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -92.66 -14.54 55.16 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.421 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.577 ' CE1' ' CG2' ' A' ' 16' ' ' ILE . 11.8 m-30 -92.47 0.46 57.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.913 0.387 . . . . 0.0 110.921 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.5 t -52.47 -19.86 2.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.884 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -55.96 -45.35 78.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.851 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.3 t -108.62 -61.94 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.131 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.542 ' HB ' HD11 ' A' ' 54' ' ' LEU . 50.1 p -46.81 -82.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.129 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.455 ' CB ' ' O ' ' A' ' 31' ' ' THR . 12.7 t0 80.35 -12.45 1.04 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.444 ' CB ' HD13 ' A' ' 54' ' ' LEU . 0.0 OUTLIER 56.14 168.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 -179.792 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.598 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -147.28 50.8 1.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.598 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . 168.46 -29.06 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.111 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.584 HD11 ' HB2' ' A' ' 57' ' ' LEU . 2.6 mt -91.99 -60.52 1.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 110.14 139.98 8.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.8 m -76.02 49.12 0.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.886 0.374 . . . . 0.0 110.857 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -179.56 40.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -132.51 124.42 28.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.674 HG11 ' CD ' ' A' ' 10' ' ' PRO . 1.5 t -97.51 134.3 36.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -135.2 133.34 6.67 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.483 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.543 ' CD2' ' O ' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -107.26 117.54 34.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.803 0.335 . . . . 0.0 110.824 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.818 HD23 ' HB3' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -59.64 115.77 3.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 20.2 p -75.28 2.85 10.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.818 ' HB3' HD23 ' A' ' 44' ' ' LEU . 2.0 tppt? -86.76 -42.73 13.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.947 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.592 ' SG ' ' CD2' ' A' ' 49' ' ' HIS . 7.2 p -124.35 -16.59 6.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 1.7 t 83.26 42.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.834 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.592 ' CD2' ' SG ' ' A' ' 47' ' ' CYS . 8.4 m170 -112.72 125.42 54.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.868 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.574 ' C ' ' CG ' ' A' ' 51' ' ' PHE . . . -96.25 162.48 13.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.98 ' CD1' HD11 ' A' ' 56' ' ' LEU . 0.0 OUTLIER 170.49 169.6 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.862 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.457 ' CE1' ' HB2' ' A' ' 14' ' ' CYS . 27.5 m170 -64.96 104.22 0.83 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.773 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.561 ' HA ' HD12 ' A' ' 56' ' ' LEU . 19.3 mt -38.9 -52.68 1.76 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.565 ' C ' HD12 ' A' ' 54' ' ' LEU . 1.0 OUTLIER -51.47 -69.75 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.907 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.4 ' CB ' HD12 ' A' ' 16' ' ' ILE . 76.4 m -38.11 -45.51 0.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.98 HD11 ' CD1' ' A' ' 51' ' ' PHE . 12.8 mt -63.85 -47.87 79.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.584 ' HB2' HD11 ' A' ' 36' ' ' LEU . 17.2 tp -43.63 -33.07 1.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.37 -66.34 0.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.465 ' SD ' ' N ' ' A' ' 60' ' ' TYR . 3.0 ppp? -56.86 -16.66 7.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.578 ' CE1' ' HA ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -66.56 -14.87 62.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 -179.879 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.3 m -63.23 -10.02 13.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -97.36 -56.85 2.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.965 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.464 ' HA3' ' NE2' ' A' ' 70' ' ' GLN . . . -117.88 -174.47 16.6 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.528 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 76' ' ' THR . 9.2 m-20 34.27 45.88 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.901 0.382 . . . . 0.0 110.941 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.578 ' HA ' ' CE1' ' A' ' 60' ' ' TYR . 2.6 ttpp -87.28 77.69 8.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.844 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.442 ' CB ' ' OH ' ' A' ' 2' ' ' TYR . 1.0 OUTLIER -121.39 -42.0 2.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.835 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 156.84 39.48 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.46 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.804 ' HB3' HD13 ' A' ' 69' ' ' LEU . 58.6 m -155.62 -94.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.874 0.369 . . . . 0.0 110.824 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.804 HD13 ' HB3' ' A' ' 68' ' ' SER . 0.0 OUTLIER -159.45 -173.42 4.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.488 ' N ' ' HB2' ' A' ' 60' ' ' TYR . 50.4 tt0 -134.64 157.7 45.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.948 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.467 ' N ' ' HG2' ' A' ' 70' ' ' GLN . 7.6 t -98.9 101.36 11.96 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.605 0.717 . . . . 0.0 110.935 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.436 ' HB3' ' HE3' ' A' ' 59' ' ' MET . 53.3 Cg_endo -69.79 -6.79 19.45 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.667 2.244 . . . . 0.0 112.352 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.79 -68.4 0.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.6 p -111.54 10.85 21.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? 60.02 51.67 5.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.957 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.458 ' O ' ' ND2' ' A' ' 64' ' ' ASN . 1.4 m . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.114 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.797 0.332 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.843 ' O ' HG23 ' A' ' 45' ' ' THR . 0.0 OUTLIER -100.73 10.15 41.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.969 -179.93 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.885 HG22 ' HA ' ' A' ' 44' ' ' LEU . 50.4 p -114.62 169.16 9.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.111 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -133.26 121.1 21.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -47.22 146.52 1.85 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.579 ' HB2' HG13 ' A' ' 41' ' ' VAL . 0.7 OUTLIER -99.52 123.88 44.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.958 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.688 ' O ' HG13 ' A' ' 8' ' ' VAL . 1.8 tttp -57.24 -18.75 17.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.966 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.688 HG13 ' O ' ' A' ' 7' ' ' LYS . 3.1 m -163.82 147.32 8.1 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.607 0.718 . . . . 0.0 111.175 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.88 110.34 2.56 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.66 2.24 . . . . 0.0 112.33 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -165.39 0.15 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.641 2.227 . . . . 0.0 112.364 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -101.87 40.82 1.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -100.38 -34.96 9.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.813 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.47 ' CA ' ' HG ' ' A' ' 21' ' ' LEU . 55.0 m-20 61.58 132.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.795 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.576 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 53.4 t -39.01 159.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -117.86 -25.03 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.076 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 1.017 HD11 HD23 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -74.74 -66.84 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 18' ' ' MET . 14.5 p -86.57 16.74 4.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.43 ' C ' ' O ' ' A' ' 17' ' ' CYS . 6.7 mtt 35.1 69.06 0.18 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -140.99 -177.39 5.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.9 mtpt -75.18 138.02 41.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.923 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.47 ' HG ' ' CA ' ' A' ' 13' ' ' ASP . 7.0 mt -69.82 -2.79 13.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.3 t -109.94 -10.27 14.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 55.0 p -96.24 34.33 1.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.125 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.413 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . 49.92 178.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.415 ' HA ' ' ND1' ' A' ' 52' ' ' HIS . 0.1 OUTLIER -69.72 145.42 52.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.799 -179.754 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -87.17 -30.92 18.52 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.51 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.436 ' O ' ' N ' ' A' ' 29' ' ' ASP . 11.9 m-30 -73.12 -18.17 61.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.927 0.394 . . . . 0.0 110.925 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.635 ' HA ' HD21 ' A' ' 54' ' ' LEU . 3.1 t -40.09 -27.31 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.853 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 27' ' ' TYR . 0.4 OUTLIER -54.15 -45.98 72.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.437 ' O ' ' C ' ' A' ' 31' ' ' THR . 0.2 OUTLIER -110.46 -62.66 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.172 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.516 ' HB ' HD11 ' A' ' 54' ' ' LEU . 1.3 p -34.78 -78.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.178 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 75.38 -5.4 2.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.45 ' HB3' HD13 ' A' ' 54' ' ' LEU . 0.4 OUTLIER 45.31 -171.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.793 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.7 tttp -148.27 40.62 0.95 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -176.35 -43.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.137 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.874 HD11 HD23 ' A' ' 57' ' ' LEU . 3.7 mt -74.21 -164.38 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.86 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.82 -0.94 5.14 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.507 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.624 ' HB3' HD23 ' A' ' 54' ' ' LEU . 0.4 OUTLIER 68.75 9.12 7.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.943 0.401 . . . . 0.0 110.853 -179.775 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -134.09 27.35 3.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.47 ' O ' HD12 ' A' ' 53' ' ' LEU . . . -132.45 109.49 9.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.066 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.579 HG13 ' HB2' ' A' ' 6' ' ' LEU . 0.9 OUTLIER -96.82 128.0 48.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -139.06 153.93 23.06 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.478 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.629 ' CE1' ' HG ' ' A' ' 48' ' ' SER . 16.0 p80 -104.34 153.93 20.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.808 0.337 . . . . 0.0 110.852 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.885 ' HA ' HG22 ' A' ' 3' ' ' THR . 0.1 OUTLIER -82.46 118.04 22.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.981 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.843 HG23 ' O ' ' A' ' 2' ' ' TYR . 59.8 p -53.85 -14.74 1.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.14 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.505 ' CB ' HG23 ' A' ' 76' ' ' THR . 3.3 mmmt -71.76 -28.05 63.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 48' ' ' SER . 26.1 p -143.42 -44.34 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.629 ' HG ' ' CE1' ' A' ' 43' ' ' HIS . 0.3 OUTLIER 83.02 74.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.834 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.589 ' HB2' ' CE1' ' A' ' 51' ' ' PHE . 27.1 m170 -116.73 -24.76 7.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.847 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.6 ' C ' ' CG ' ' A' ' 51' ' ' PHE . . . 73.98 137.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.105 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.804 ' HB2' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -172.95 159.13 3.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.93 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.576 ' CE1' ' HB2' ' A' ' 14' ' ' CYS . 42.1 m170 -60.07 98.79 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.697 ' HA ' HD12 ' A' ' 56' ' ' LEU . 28.8 mt -36.16 -43.97 0.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.784 ' C ' HD12 ' A' ' 54' ' ' LEU . 0.3 OUTLIER -60.1 -67.04 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.462 ' C ' HD12 ' A' ' 16' ' ' ILE . 90.3 m -43.59 -39.19 3.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.926 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 1.017 HD23 HD11 ' A' ' 16' ' ' ILE . 10.5 mt -68.46 -57.34 5.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.874 HD23 HD11 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -37.89 -28.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.868 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 56' ' ' LEU . . . -86.57 -60.62 1.94 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.414 ' HE2' ' HB3' ' A' ' 59' ' ' MET . 1.4 ttp -63.17 -8.53 8.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.507 ' CD2' ' N ' ' A' ' 61' ' ' CYS . 0.0 OUTLIER -78.46 -38.0 42.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.507 ' N ' ' CD2' ' A' ' 60' ' ' TYR . 85.8 m -35.16 -31.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.875 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 60' ' ' TYR . 2.1 m-20 -97.53 -71.74 0.67 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.494 ' O ' ' N ' ' A' ' 65' ' ' LYS . . . -60.27 148.0 44.25 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.514 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.584 ' N ' ' NE2' ' A' ' 70' ' ' GLN . 1.8 m-20 57.18 -80.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.914 0.387 . . . . 0.0 110.877 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 63' ' ' GLY . 0.0 OUTLIER 67.56 122.18 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.897 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -178.93 -47.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.825 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.448 ' N ' ' OH ' ' A' ' 60' ' ' TYR . . . 145.07 45.27 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.516 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.748 ' O ' HD22 ' A' ' 57' ' ' LEU . 13.2 m -158.62 -73.17 0.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.968 0.413 . . . . 0.0 110.861 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.674 ' N ' HD13 ' A' ' 69' ' ' LEU . 0.0 OUTLIER 178.6 -172.91 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.946 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.584 ' NE2' ' N ' ' A' ' 64' ' ' ASN . 3.4 tp-100 -145.79 156.7 43.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.988 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.44 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 18.1 t -89.42 109.2 29.83 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.615 0.722 . . . . 0.0 110.894 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.561 ' HD2' ' CD1' ' A' ' 51' ' ' PHE . 53.9 Cg_endo -69.75 -0.87 7.53 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.637 2.225 . . . . 0.0 112.361 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.441 ' OG ' ' N ' ' A' ' 74' ' ' CYS . 1.1 t -98.61 -87.37 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 76' ' ' THR . 14.5 p -88.18 32.89 0.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 74' ' ' CYS . 0.0 OUTLIER 34.27 33.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.901 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.505 HG23 ' CB ' ' A' ' 46' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.1 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 17.2 p30 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.891 0.377 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.653 ' N ' ' CD1' ' A' ' 2' ' ' TYR . 0.0 OUTLIER -95.6 -14.07 23.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.847 -179.88 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.656 HG22 ' HA ' ' A' ' 44' ' ' LEU . 1.6 p -108.07 141.63 39.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.161 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.667 ' O ' HD23 ' A' ' 6' ' ' LEU . 9.5 tt0 -102.07 107.99 19.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -40.74 138.73 0.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.667 HD23 ' O ' ' A' ' 4' ' ' GLU . 6.3 mt -108.39 120.44 42.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -42.49 -23.52 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.469 HG12 ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -151.43 158.59 34.3 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.55 0.691 . . . . 0.0 111.161 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.469 ' HD2' HG12 ' A' ' 8' ' ' VAL . 54.3 Cg_endo -69.72 135.5 30.7 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.686 2.257 . . . . 0.0 112.4 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.409 ' HD3' HD12 ' A' ' 6' ' ' LEU . 53.9 Cg_endo -69.75 -90.84 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.672 2.248 . . . . 0.0 112.366 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 168.7 33.96 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.887 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.436 ' O ' ' CB ' ' A' ' 13' ' ' ASP . 9.1 tm-20 -101.35 -37.63 8.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.465 ' CA ' ' HG ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER 78.51 127.54 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.503 ' HB2' ' CG ' ' A' ' 52' ' ' HIS . 43.0 t -46.54 147.23 1.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.546 HD11 ' HD1' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -100.92 -23.5 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.168 179.898 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.59 HD11 HD23 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -64.87 -70.01 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 179.826 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' A' ' 18' ' ' MET . 31.5 p -95.19 20.84 8.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.942 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.427 ' C ' ' O ' ' A' ' 17' ' ' CYS . 1.1 ptp 34.58 70.85 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -135.19 -178.34 5.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.6 mttt -80.95 127.54 32.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.853 HD22 HG13 ' A' ' 41' ' ' VAL . 11.6 mt -61.81 -10.02 8.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.1 p -87.44 -38.68 15.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.731 HG22 ' N ' ' A' ' 24' ' ' ALA . 17.2 m -61.26 -92.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.163 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.731 ' N ' HG22 ' A' ' 23' ' ' THR . . . -176.84 177.55 1.31 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.128 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.472 ' CB ' ' HB3' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -71.09 125.66 27.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.899 -179.829 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.16 -0.46 65.81 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.491 ' CZ ' HG22 ' A' ' 16' ' ' ILE . 6.4 m-30 -100.5 -18.86 16.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.862 0.363 . . . . 0.0 110.891 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.22 -21.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.79 -63.71 0.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.857 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -137.69 86.99 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.176 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.414 ' CB ' HD11 ' A' ' 54' ' ' LEU . 0.4 OUTLIER -142.75 134.81 27.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 -179.909 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.93 70.41 10.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.747 ' HB3' HD12 ' A' ' 57' ' ' LEU . 0.7 OUTLIER -120.38 114.88 22.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.732 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.8 mmtp -116.31 33.8 5.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -129.31 -33.04 1.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.087 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.614 HD13 ' HB3' ' A' ' 53' ' ' LEU . 1.5 mt -123.86 143.36 50.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.473 ' O ' ' CB ' ' A' ' 38' ' ' SER . . . -68.04 -82.87 0.15 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.507 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' A' ' 37' ' ' GLY . 0.2 OUTLIER 162.59 -34.23 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.919 0.39 . . . . 0.0 110.867 -179.787 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.883 ' O ' HD23 ' A' ' 39' ' ' LEU . 3.3 tt -89.16 19.93 4.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.609 ' HB3' HD12 ' A' ' 53' ' ' LEU . . . -110.82 151.58 27.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.081 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.853 HG13 HD22 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -120.66 140.9 43.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.062 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.414 ' C ' ' HB ' ' A' ' 3' ' ' THR . . . -142.02 131.46 4.76 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.505 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.535 ' O ' ' CG ' ' A' ' 43' ' ' HIS . 5.4 p80 -102.3 112.2 24.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.815 0.341 . . . . 0.0 110.888 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.802 HD23 ' HB2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -50.55 118.82 3.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.945 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.569 HG23 ' O ' ' A' ' 2' ' ' TYR . 69.1 p -76.85 8.2 3.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.122 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.802 ' HB2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -93.02 -40.8 10.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.591 ' SG ' ' CD2' ' A' ' 49' ' ' HIS . 7.6 p -124.75 -15.63 6.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 1.3 p 84.01 33.46 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.591 ' CD2' ' SG ' ' A' ' 47' ' ' CYS . 7.5 m170 -105.09 137.5 42.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.858 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.601 ' C ' ' CG ' ' A' ' 51' ' ' PHE . . . -111.35 165.39 11.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.965 ' CD2' HD11 ' A' ' 56' ' ' LEU . 0.0 OUTLIER 172.64 -171.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.871 -179.884 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.503 ' CG ' ' HB2' ' A' ' 14' ' ' CYS . 42.1 m170 -82.4 110.76 17.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.935 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.614 ' HB3' HD13 ' A' ' 36' ' ' LEU . 24.2 mt -40.99 -70.12 0.11 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.545 ' CD1' ' C ' ' A' ' 54' ' ' LEU . 0.1 OUTLIER -39.58 -61.19 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 74.0 m -43.51 -53.1 5.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.965 HD11 ' CD2' ' A' ' 51' ' ' PHE . 4.9 mt -60.71 -60.64 3.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.747 HD12 ' HB3' ' A' ' 33' ' ' SER . 2.4 tm? -42.51 -35.32 1.03 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.34 -66.34 0.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.049 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.545 ' HE1' ' OE1' ' A' ' 70' ' ' GLN . 0.1 OUTLIER -70.86 -8.51 53.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.886 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.636 ' C ' ' CD1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -59.4 -14.43 12.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.904 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.444 ' N ' ' CD1' ' A' ' 60' ' ' TYR . 0.5 OUTLIER -69.49 -9.92 55.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.849 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -97.41 -59.47 1.78 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 65' ' ' LYS . . . -105.66 -176.78 23.99 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.528 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.447 ' OD1' ' C ' ' A' ' 76' ' ' THR . 3.5 m-20 40.66 -92.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.913 0.387 . . . . 0.0 110.941 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.569 ' HA ' ' CE2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER 58.09 30.82 19.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 179.89 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.446 ' HB3' ' CZ ' ' A' ' 2' ' ' TYR . 0.4 OUTLIER -72.85 -14.24 61.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.833 179.896 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.443 ' N ' ' OH ' ' A' ' 2' ' ' TYR . . . 123.85 49.25 0.22 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.458 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.542 ' C ' HD13 ' A' ' 69' ' ' LEU . 19.5 p -175.52 -63.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.898 0.38 . . . . 0.0 110.878 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.557 ' CD2' ' C ' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -175.66 -173.69 0.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.546 ' O ' HD22 ' A' ' 56' ' ' LEU . 0.9 OUTLIER -133.98 152.81 52.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.451 ' C ' ' OE1' ' A' ' 70' ' ' GLN . 8.1 t -99.81 100.59 11.48 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.643 0.735 . . . . 0.0 110.871 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 71' ' ' CYS . 53.8 Cg_endo -69.78 -0.66 7.24 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.665 2.243 . . . . 0.0 112.342 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.18 -53.77 6.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.5 p -130.04 5.68 4.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.856 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.3 mptt 54.24 50.14 17.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.447 ' C ' ' OD1' ' A' ' 64' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.15 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASN . . . . . 0.473 ' HB3' ' CD1' ' A' ' 2' ' ' TYR . 1.4 t-20 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.813 0.34 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.812 ' O ' HG23 ' A' ' 45' ' ' THR . 0.0 OUTLIER -98.33 -15.16 19.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.93 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.595 ' CG2' HD11 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -104.22 144.89 30.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.112 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.423 ' O ' HD23 ' A' ' 6' ' ' LEU . 9.8 tt0 -112.55 120.13 40.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -44.97 140.83 2.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.503 HD12 ' HG3' ' A' ' 10' ' ' PRO . 8.8 mt -97.99 113.6 25.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.9 mtmt -54.41 -18.32 4.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.687 HG13 ' HD2' ' A' ' 9' ' ' PRO . 98.9 t -140.52 138.95 19.35 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.588 0.708 . . . . 0.0 111.118 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.687 ' HD2' HG13 ' A' ' 8' ' ' VAL . 53.5 Cg_endo -69.77 110.33 2.53 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.674 2.249 . . . . 0.0 112.349 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.503 ' HG3' HD12 ' A' ' 6' ' ' LEU . 53.5 Cg_endo -69.79 -163.81 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.68 2.253 . . . . 0.0 112.306 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -120.7 20.89 11.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.792 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -67.67 -37.12 81.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.472 ' CA ' ' HG ' ' A' ' 21' ' ' LEU . 0.6 OUTLIER 65.0 129.09 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.934 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.516 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 36.8 t -42.79 160.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.839 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -121.76 -15.97 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.115 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.493 HD12 ' HB3' ' A' ' 55' ' ' CYS . 66.3 mt -82.14 -70.66 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.461 ' SG ' ' CG ' ' A' ' 19' ' ' GLU . 17.4 p -77.8 -1.76 33.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 55.34 53.59 9.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.461 ' CG ' ' SG ' ' A' ' 17' ' ' CYS . 6.5 mm-40 -128.92 -175.63 3.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.856 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.7 mtmt -79.26 139.81 37.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.574 HD21 ' HA ' ' A' ' 51' ' ' PHE . 7.0 mt -64.52 -8.0 12.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.956 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.71 -20.73 13.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.0 p -83.31 35.18 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.101 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.474 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . 51.48 178.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.082 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.71 131.49 34.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -74.71 -10.1 83.0 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.459 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -84.82 -21.23 29.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.87 0.366 . . . . 0.0 110.884 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.1 t -52.16 -17.58 1.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.829 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.5 -51.09 70.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.3 p -123.32 9.26 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . 1.0 HG21 ' HB2' ' A' ' 58' ' ' ALA . 1.5 m -119.81 100.37 7.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -100.97 81.89 2.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.826 ' OG ' HD22 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -48.55 174.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.778 -179.733 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.1 pttt -134.16 1.95 3.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.921 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.678 ' HB3' HD13 ' A' ' 36' ' ' LEU . . . -128.5 -49.21 1.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.871 HD13 ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -101.28 -171.86 2.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.42 161.71 27.32 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.468 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.28 -3.58 31.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.846 0.355 . . . . 0.0 110.803 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.61 12.2 16.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.451 ' CB ' HD12 ' A' ' 53' ' ' LEU . . . -113.75 121.17 43.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.064 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.3 t -99.94 113.42 35.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.212 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -125.27 145.77 15.85 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.45 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 -121.21 123.27 41.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.86 0.362 . . . . 0.0 110.857 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.485 HD22 ' HB2' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -58.05 124.92 20.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.952 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.812 HG23 ' O ' ' A' ' 2' ' ' TYR . 13.2 p -79.1 9.6 4.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.485 ' HB2' HD22 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -87.52 -40.75 14.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.845 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.586 ' SG ' ' CD2' ' A' ' 49' ' ' HIS . 7.6 p -124.46 -16.42 6.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 0.9 OUTLIER 83.37 38.86 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.785 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.586 ' CD2' ' SG ' ' A' ' 47' ' ' CYS . 7.6 m170 -109.85 133.6 52.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.598 ' C ' ' CG ' ' A' ' 51' ' ' PHE . . . -106.71 164.35 12.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.891 ' CD2' HD11 ' A' ' 56' ' ' LEU . 0.0 OUTLIER 171.22 -170.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.805 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.516 ' CE1' ' HB2' ' A' ' 14' ' ' CYS . 32.4 m170 -81.07 108.73 14.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.84 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.451 HD12 ' CB ' ' A' ' 40' ' ' ALA . 34.8 mt -43.24 -47.42 6.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.447 ' HA ' HD13 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -60.0 -69.0 0.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.856 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.493 ' HB3' HD12 ' A' ' 16' ' ' ILE . 90.1 m -36.61 -48.8 0.72 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.814 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.891 HD11 ' CD2' ' A' ' 51' ' ' PHE . 3.0 mt -65.53 -57.87 7.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.927 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.736 ' HG ' HD21 ' A' ' 36' ' ' LEU . 2.6 tm? -43.33 -31.26 0.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 1.0 ' HB2' HG21 ' A' ' 31' ' ' THR . . . -66.67 -66.31 0.57 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -72.24 -8.44 54.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.592 ' C ' ' CD1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -58.92 -19.05 39.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.9 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.497 ' N ' ' CD1' ' A' ' 60' ' ' TYR . 0.5 OUTLIER -60.12 -13.82 13.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -97.45 -63.61 1.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 65' ' ' LYS . . . -85.83 169.46 42.6 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.49 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 40.18 -92.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.899 0.38 . . . . 0.0 110.917 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.576 ' HA ' ' CE2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER 66.43 31.86 7.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.435 ' CB ' ' OH ' ' A' ' 2' ' ' TYR . 1.6 m-20 -80.85 -21.7 40.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.444 ' N ' ' OH ' ' A' ' 2' ' ' TYR . . . 132.2 52.64 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.51 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.625 ' C ' HD13 ' A' ' 69' ' ' LEU . 1.1 t -171.33 -71.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.365 . . . . 0.0 110.83 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.625 HD13 ' C ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -177.71 -174.69 0.47 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.964 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.474 ' HG2' ' N ' ' A' ' 71' ' ' CYS . 6.7 tt0 -132.14 150.99 52.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.474 ' N ' ' HG2' ' A' ' 70' ' ' GLN . 8.9 t -97.94 102.52 13.82 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.648 0.737 . . . . 0.0 110.866 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.483 ' HG3' ' CG1' ' A' ' 16' ' ' ILE . 53.6 Cg_endo -69.82 -10.27 28.1 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.67 2.247 . . . . 0.0 112.335 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.47 -60.31 2.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.5 p -122.01 20.38 10.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.12 66.39 1.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.916 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASN . . . . . 0.524 ' HB3' ' CD1' ' A' ' 2' ' ' TYR . 7.2 m120 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.804 0.335 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.582 ' CE2' ' HB2' ' A' ' 68' ' ' SER . 0.0 OUTLIER -101.4 -19.23 15.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.912 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.52 HG22 ' HG ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -115.97 141.45 48.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.175 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.777 ' O ' HD23 ' A' ' 6' ' ' LEU . 33.6 tt0 -103.84 98.49 8.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 4' ' ' GLU . 14.1 tt0 -35.08 109.41 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.928 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.777 HD23 ' O ' ' A' ' 4' ' ' GLU . 0.2 OUTLIER -68.45 -11.88 60.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.932 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.556 ' C ' HG22 ' A' ' 8' ' ' VAL . 0.2 OUTLIER 65.62 4.97 3.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 179.891 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.556 HG22 ' C ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -172.06 166.34 3.75 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.613 0.72 . . . . 0.0 111.18 179.867 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.549 ' HD2' HG12 ' A' ' 8' ' ' VAL . 53.6 Cg_endo -69.84 131.74 21.76 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.668 2.245 . . . . 0.0 112.328 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.627 ' CG ' HD13 ' A' ' 21' ' ' LEU . 53.7 Cg_endo -69.78 -90.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.64 2.227 . . . . 0.0 112.373 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.0 p30 174.77 52.28 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.51 ' O ' ' CB ' ' A' ' 13' ' ' ASP . 30.2 mp0 -144.05 -97.48 0.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 4.1 m-20 159.68 144.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.845 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.402 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 34.3 t -53.65 158.43 1.88 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.86 -18.54 7.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.149 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.64 HD12 ' CB ' ' A' ' 55' ' ' CYS . 68.1 mt -83.52 -70.75 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 14.6 p -81.47 3.02 26.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 43.14 64.76 1.11 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -137.92 -172.93 3.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.5 ' HB2' HG23 ' A' ' 23' ' ' THR . 34.7 mttt -73.33 123.03 22.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.627 HD13 ' CG ' ' A' ' 10' ' ' PRO . 7.6 mt -57.91 -11.76 2.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.987 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.6 t -93.37 -41.22 9.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.5 HG23 ' HB2' ' A' ' 20' ' ' LYS . 33.7 p -51.6 -89.01 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.178 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.48 ' HB2' ' O ' ' A' ' 23' ' ' THR . . . 174.22 171.01 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.084 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.4 t -67.83 121.27 15.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -70.09 -6.46 56.91 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.521 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.55 ' CZ ' HG22 ' A' ' 16' ' ' ILE . 8.5 m-30 -92.23 -11.81 34.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.889 0.376 . . . . 0.0 110.899 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.1 -26.04 0.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.823 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.455 ' O ' HG13 ' A' ' 30' ' ' VAL . 2.5 m-20 -45.56 -47.44 14.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.455 HG13 ' O ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -163.95 84.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.539 HG23 ' HB3' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -115.24 -7.94 12.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.9 t70 67.25 24.78 9.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.822 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.46 -65.6 0.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.3 mtmt 39.89 39.85 0.64 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.897 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -136.88 -48.39 0.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.068 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.709 ' CD1' HD22 ' A' ' 57' ' ' LEU . 6.5 mp -62.61 -9.8 10.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.93 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.76 -8.35 66.26 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.514 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.44 ' CB ' HD23 ' A' ' 54' ' ' LEU . 78.1 p 52.0 69.79 0.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.822 0.344 . . . . 0.0 110.786 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.8 tp 174.31 -27.5 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.64 ' CB ' HD12 ' A' ' 53' ' ' LEU . . . -58.59 129.95 44.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.015 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.601 HG11 ' HD3' ' A' ' 10' ' ' PRO . 0.2 OUTLIER -102.31 127.26 56.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.16 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.802 ' HA3' HD21 ' A' ' 53' ' ' LEU . . . -123.58 149.04 16.85 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.474 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.777 ' ND1' ' HB2' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -124.51 95.72 4.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.828 0.347 . . . . 0.0 110.9 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.531 ' CD1' ' CD2' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -53.34 89.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.945 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.502 HG23 ' O ' ' A' ' 2' ' ' TYR . 11.9 p -45.63 -21.18 0.09 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.128 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.39 -46.63 47.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.594 ' SG ' ' CD2' ' A' ' 49' ' ' HIS . 7.7 p -125.07 -14.79 6.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.829 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 1.5 t 84.53 34.34 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.594 ' CD2' ' SG ' ' A' ' 47' ' ' CYS . 6.4 m170 -107.91 120.78 43.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.777 ' HB2' ' ND1' ' A' ' 43' ' ' HIS . . . -96.01 164.35 12.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.912 ' CD1' HD11 ' A' ' 56' ' ' LEU . 0.0 OUTLIER 174.63 -169.83 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.812 -179.916 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.402 ' CE1' ' HB2' ' A' ' 14' ' ' CYS . 27.8 m170 -82.7 105.95 14.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.802 HD21 ' HA3' ' A' ' 42' ' ' GLY . 79.8 mt -42.18 -38.26 1.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.561 ' C ' HD12 ' A' ' 54' ' ' LEU . 0.3 OUTLIER -64.72 -68.61 0.34 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 179.884 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.64 ' CB ' HD12 ' A' ' 16' ' ' ILE . 69.4 m -41.51 -41.38 2.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.912 HD11 ' CD1' ' A' ' 51' ' ' PHE . 7.4 mt -70.33 -58.12 4.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.709 HD22 ' CD1' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -45.49 -23.19 0.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.21 -66.35 0.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.077 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -70.41 -10.91 60.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.579 ' CE1' ' HA ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -56.94 -26.65 59.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.873 -179.825 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.565 ' N ' ' CD2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -45.83 -21.48 0.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.921 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -97.46 -61.73 1.35 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 65' ' ' LYS . . . -58.46 -152.52 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.509 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 76' ' ' THR . 0.7 OUTLIER -52.97 84.83 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.868 0.366 . . . . 0.0 110.887 -179.895 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.579 ' HA ' ' CE1' ' A' ' 60' ' ' TYR . 13.8 ttpt -85.3 79.26 9.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.943 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -130.06 31.99 4.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 75.26 62.02 2.85 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.501 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.582 ' HB2' ' CE2' ' A' ' 2' ' ' TYR . 8.2 m -165.83 -95.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.867 0.365 . . . . 0.0 110.881 -179.732 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.56 ' CD2' ' C ' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -171.97 -173.7 1.18 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.672 ' O ' HD22 ' A' ' 56' ' ' LEU . 47.1 tt0 -136.44 155.1 50.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.469 ' N ' ' HG2' ' A' ' 70' ' ' GLN . 11.9 t -101.28 100.73 14.28 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.615 0.721 . . . . 0.0 110.906 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.481 ' HG3' ' CG1' ' A' ' 16' ' ' ILE . 54.4 Cg_endo -69.72 -5.15 15.49 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.687 2.258 . . . . 0.0 112.377 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.59 -57.93 3.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.797 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.5 p -125.02 12.43 8.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt 63.03 80.82 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.499 ' O ' ' ND2' ' A' ' 64' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.092 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.819 0.343 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.58 ' CE1' ' HB2' ' A' ' 68' ' ' SER . 0.0 OUTLIER -101.37 7.17 42.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.814 ' CG2' HD11 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -130.06 119.55 23.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.146 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.29 111.45 15.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -44.12 148.96 0.37 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.683 HD11 ' NE2' ' A' ' 43' ' ' HIS . 5.7 mt -104.22 -5.05 22.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.835 ' O ' HG13 ' A' ' 8' ' ' VAL . 0.3 OUTLIER 62.37 8.05 2.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 179.819 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.835 HG13 ' O ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER 172.35 162.34 0.26 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.631 0.729 . . . . 0.0 111.166 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.771 ' HA ' HG21 ' A' ' 41' ' ' VAL . 54.0 Cg_endo -69.8 128.93 16.7 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.736 2.291 . . . . 0.0 112.277 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -90.94 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.649 2.233 . . . . 0.0 112.31 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.3 p30 175.57 41.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.707 ' HB3' HD12 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -112.97 -96.96 0.43 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.926 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 0.4 OUTLIER 159.81 145.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.49 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 48.7 t -70.88 141.1 51.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -96.6 -23.72 4.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.609 HG22 ' CZ ' ' A' ' 27' ' ' TYR . 13.7 mt -79.64 -70.56 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.411 ' SG ' ' CB ' ' A' ' 19' ' ' GLU . 14.5 p -79.93 12.51 2.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' ' 17' ' ' CYS . 3.8 mtp 37.72 38.37 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.411 ' CB ' ' SG ' ' A' ' 17' ' ' CYS . 2.1 tp10 -116.14 150.7 37.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -47.87 138.95 8.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.707 HD12 ' HB3' ' A' ' 12' ' ' GLU . 6.2 mt -64.25 -12.74 44.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.56 -20.32 19.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.991 0.424 . . . . 0.0 110.869 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.9 p -83.47 22.37 1.06 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.089 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 56.8 -178.54 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.18 119.31 14.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.806 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -69.86 -21.42 76.66 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.609 ' CZ ' HG22 ' A' ' 16' ' ' ILE . 7.4 m-30 -80.52 -10.74 59.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.929 0.395 . . . . 0.0 110.978 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.7 t -43.21 -27.61 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.849 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.2 -43.65 70.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.7 t -102.89 -46.0 10.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.537 ' HB ' HD11 ' A' ' 54' ' ' LEU . 31.0 p -71.89 101.4 2.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.15 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -107.42 52.8 0.71 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.477 ' OG ' HD13 ' A' ' 54' ' ' LEU . 12.8 p -72.41 136.48 46.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -92.09 -6.11 51.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.946 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -93.02 -37.77 12.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.817 HD21 HD13 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -74.19 -70.52 0.39 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.941 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.435 ' O ' HD23 ' A' ' 39' ' ' LEU . . . 111.65 -14.19 27.27 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.481 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 63.83 23.39 13.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.884 0.373 . . . . 0.0 110.873 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.485 ' O ' HD12 ' A' ' 39' ' ' LEU . 0.6 OUTLIER -155.15 38.28 0.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.951 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -139.8 119.83 13.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.178 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.771 HG21 ' HA ' ' A' ' 9' ' ' PRO . 0.2 OUTLIER -109.5 140.17 29.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.087 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -157.04 128.72 2.22 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.49 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.683 ' NE2' HD11 ' A' ' 6' ' ' LEU . 8.0 m170 -75.42 143.47 42.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.858 0.361 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.651 HD22 ' HB2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -80.99 103.6 10.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.854 -179.88 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 68.8 p -38.54 -35.39 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.651 ' HB2' HD22 ' A' ' 44' ' ' LEU . 5.9 mttm -51.1 -47.29 61.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.601 ' HB2' ' CE1' ' A' ' 49' ' ' HIS . 31.3 p -127.11 -46.86 1.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 44' ' ' LEU . 0.3 OUTLIER 79.62 73.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.825 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.678 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 1.6 m-70 -114.73 -25.23 8.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.924 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.678 ' HB3' ' O ' ' A' ' 49' ' ' HIS . . . 83.74 133.06 0.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.706 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -173.8 173.54 3.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.571 ' O ' HD13 ' A' ' 56' ' ' LEU . 28.8 m170 -82.69 97.32 8.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.483 ' C ' HD12 ' A' ' 36' ' ' LEU . 35.9 mt -36.25 -43.65 0.37 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.872 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.815 ' N ' HD12 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -57.9 -70.2 0.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.856 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.504 ' C ' HD12 ' A' ' 16' ' ' ILE . 63.3 m -43.97 -29.46 0.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.742 HD23 ' O ' ' A' ' 70' ' ' GLN . 8.7 mp -81.12 -38.7 26.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.965 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.817 HD13 HD21 ' A' ' 36' ' ' LEU . 2.7 tp -60.3 -10.58 4.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -93.0 -36.54 12.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.517 ' HE1' ' O ' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -99.1 -8.52 25.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.576 ' CE1' ' HA ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -64.41 -25.82 68.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 -179.837 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.435 ' N ' ' CD2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -53.42 -15.56 1.09 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -97.51 -67.54 0.84 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 65' ' ' LYS . . . -77.71 176.01 54.0 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.456 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 38.94 -92.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.935 0.398 . . . . 0.0 110.841 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.576 ' HA ' ' CE1' ' A' ' 60' ' ' TYR . 0.5 OUTLIER 70.22 119.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 177.73 -32.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.862 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 143.67 40.65 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.462 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.688 ' HB3' HD13 ' A' ' 69' ' ' LEU . 58.5 m -157.3 -94.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.826 0.346 . . . . 0.0 110.84 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.814 HD11 ' CG2' ' A' ' 3' ' ' THR . 0.0 OUTLIER -164.41 -172.07 2.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.989 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.742 ' O ' HD23 ' A' ' 56' ' ' LEU . 2.4 tt0 -144.1 148.25 34.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.942 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.442 ' N ' ' HG2' ' A' ' 70' ' ' GLN . 5.5 t -80.65 111.28 21.72 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.646 0.736 . . . . 0.0 110.879 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 71' ' ' CYS . 53.1 Cg_endo -69.84 -7.95 22.36 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.651 2.234 . . . . 0.0 112.346 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.31 -87.79 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 18.5 p -86.81 28.81 0.85 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt 45.65 33.66 1.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.5 HG23 ' CB ' ' A' ' 46' ' ' LYS . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.173 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.792 0.33 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.597 ' N ' ' CD2' ' A' ' 2' ' ' TYR . 0.0 OUTLIER -92.13 15.4 13.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 -179.861 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.488 ' CG2' HD11 ' A' ' 69' ' ' LEU . 2.4 p -124.23 155.88 37.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.178 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -128.86 120.55 26.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.429 ' C ' HD23 ' A' ' 6' ' ' LEU . 2.9 tt0 -46.55 142.62 3.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.429 HD23 ' C ' ' A' ' 5' ' ' GLU . 4.9 mt -112.65 127.3 56.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.967 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? -65.1 -17.8 64.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -144.98 147.61 35.48 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.595 0.712 . . . . 0.0 111.178 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.8 125.23 11.88 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.695 2.263 . . . . 0.0 112.338 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.461 ' HG2' ' CD1' ' A' ' 21' ' ' LEU . 54.3 Cg_endo -69.71 -163.8 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.662 2.241 . . . . 0.0 112.357 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.465 ' OD1' ' N ' ' A' ' 11' ' ' ASP . 10.8 p-10 -119.73 90.89 3.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -170.82 -33.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.456 ' CA ' ' HG ' ' A' ' 21' ' ' LEU . 1.6 m-20 65.97 142.59 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.572 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 49.5 t -40.4 161.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.483 ' CG1' ' HG2' ' A' ' 72' ' ' PRO . 0.0 OUTLIER -119.18 -21.47 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.604 ' CD1' HD23 ' A' ' 56' ' ' LEU . 44.8 mt -76.73 -66.57 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.147 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 14.5 p -91.28 12.41 20.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 19.0 mmm 38.67 73.85 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -143.76 169.43 17.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.81 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.76 123.85 19.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.686 HD21 ' HA ' ' A' ' 51' ' ' PHE . 5.5 mt -61.13 -9.96 5.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 p -92.43 -41.38 10.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.602 HG22 ' N ' ' A' ' 24' ' ' ALA . 21.9 m -54.87 -89.86 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.177 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.602 ' N ' HG22 ' A' ' 23' ' ' THR . . . 172.7 158.43 0.11 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.107 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -42.15 146.42 0.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -87.32 -34.06 11.02 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.469 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.49 ' CE2' ' CG2' ' A' ' 16' ' ' ILE . 14.6 m-30 -78.77 1.74 22.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.903 0.382 . . . . 0.0 110.971 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.681 ' HA ' HD21 ' A' ' 54' ' ' LEU . 14.7 t -39.74 -29.35 0.06 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.839 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -48.06 -52.58 19.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.747 ' O ' HG13 ' A' ' 30' ' ' VAL . 13.7 p -176.8 90.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.132 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.755 ' OG1' HD11 ' A' ' 54' ' ' LEU . 0.2 OUTLIER -100.61 -74.92 0.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.468 ' CB ' ' O ' ' A' ' 31' ' ' THR . 1.8 m-20 162.69 35.51 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.821 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.7 m -113.1 149.6 33.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -134.82 1.77 3.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -123.93 -39.83 2.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.15 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.56 HD12 ' HA ' ' A' ' 54' ' ' LEU . 2.1 mt -77.5 -44.58 28.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 40.38 27.56 0.16 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.81 ' HB3' HD23 ' A' ' 54' ' ' LEU . 9.4 p 61.08 174.91 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.864 0.364 . . . . 0.0 110.897 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.486 ' CB ' ' O ' ' A' ' 38' ' ' SER . 0.3 OUTLIER 82.85 29.97 0.09 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.494 ' O ' HD12 ' A' ' 53' ' ' LEU . . . -154.33 123.54 6.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.088 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.9 t -109.5 121.98 63.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -137.87 118.01 1.58 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.455 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -78.62 140.06 38.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.831 0.348 . . . . 0.0 110.825 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -72.57 97.74 2.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.966 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 44' ' ' LEU . 80.3 p -35.48 -31.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 44' ' ' LEU . 18.4 tptt -49.68 -59.04 4.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.5 ' SG ' ' CD2' ' A' ' 49' ' ' HIS . 28.4 p -118.12 -33.59 4.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.07 79.16 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.841 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.676 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 26.4 m170 -116.17 -30.56 5.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.842 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.676 ' HB3' ' O ' ' A' ' 49' ' ' HIS . . . 84.31 138.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.137 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.849 ' HB2' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -169.98 -159.88 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 -179.881 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.572 ' CE1' ' HB2' ' A' ' 14' ' ' CYS . 39.0 m170 -108.44 102.33 11.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.494 HD12 ' O ' ' A' ' 40' ' ' ALA . 28.2 mt -35.75 -65.66 0.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 1.025 ' O ' HD12 ' A' ' 54' ' ' LEU . 0.3 OUTLIER -44.26 -44.7 8.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.872 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.496 ' HB3' ' CD1' ' A' ' 16' ' ' ILE . 84.8 m -63.86 -50.4 68.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.891 HD22 ' HD3' ' A' ' 72' ' ' PRO . 14.4 mt -52.67 -43.44 65.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.471 HD22 ' CD1' ' A' ' 36' ' ' LEU . 8.2 tp -58.51 -11.05 2.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.447 ' HB2' ' CG2' ' A' ' 31' ' ' THR . . . -93.44 -35.18 13.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.064 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.451 ' CE ' ' HB3' ' A' ' 70' ' ' GLN . 1.8 ppp? -99.3 -8.42 24.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.577 ' CE1' ' HA ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -75.11 -15.48 60.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.984 -179.916 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 26.9 p -63.81 -11.29 25.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -97.43 -59.32 1.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 64' ' ' ASN . . . -113.97 -176.74 19.19 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.449 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.537 ' O ' ' CE1' ' A' ' 60' ' ' TYR . 0.7 OUTLIER 34.39 56.66 0.67 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.903 0.383 . . . . 0.0 110.903 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.577 ' HA ' ' CE1' ' A' ' 60' ' ' TYR . 0.1 OUTLIER -86.05 31.5 0.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.441 ' CB ' ' OH ' ' A' ' 2' ' ' TYR . 0.1 OUTLIER -63.43 -54.77 31.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 155.84 33.53 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.456 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.598 ' CB ' HD13 ' A' ' 69' ' ' LEU . 5.3 m -145.77 -71.95 0.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.812 0.339 . . . . 0.0 110.832 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.643 ' N ' HD13 ' A' ' 69' ' ' LEU . 0.0 OUTLIER 178.44 -172.58 0.13 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.453 ' OE1' ' C ' ' A' ' 76' ' ' THR . 4.1 tp60 -133.54 157.47 45.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 72' ' ' PRO . 41.0 t -85.61 110.39 29.32 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.652 0.739 . . . . 0.0 110.897 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.891 ' HD3' HD22 ' A' ' 56' ' ' LEU . 53.1 Cg_endo -69.83 -8.77 24.45 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.6 2.2 . . . . 0.0 112.349 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.41 ' HB3' ' ND1' ' A' ' 49' ' ' HIS . 9.5 t -82.62 -71.77 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.868 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.5 ' O ' ' N ' ' A' ' 76' ' ' THR . 18.4 p -111.39 38.48 2.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.944 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 74' ' ' CYS . 61.9 mmtt 34.64 32.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.818 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.5 ' N ' ' O ' ' A' ' 74' ' ' CYS . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.118 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.844 0.354 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.557 ' CE1' ' HB3' ' A' ' 68' ' ' SER . 1.7 m-85 -92.28 -19.22 22.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.483 HG22 ' HG ' ' A' ' 44' ' ' LEU . 0.5 OUTLIER -120.86 170.81 9.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.161 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 5' ' ' GLU . 0.0 OUTLIER -139.15 121.39 15.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 4' ' ' GLU . 5.8 tt0 -35.04 141.18 0.07 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.885 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.0 mt -99.95 -10.6 21.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 64.7 5.97 3.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.671 HG23 ' HD2' ' A' ' 9' ' ' PRO . 4.4 p -170.4 138.8 1.38 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.626 0.727 . . . . 0.0 111.167 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.671 ' HD2' HG23 ' A' ' 8' ' ' VAL . 54.2 Cg_endo -69.75 110.32 2.52 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.686 2.257 . . . . 0.0 112.346 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 9' ' ' PRO . 53.9 Cg_endo -69.68 -165.52 0.15 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.763 2.309 . . . . 0.0 112.354 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.87 54.01 0.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.582 ' CB ' ' HB3' ' A' ' 50' ' ' ALA . 10.2 mm-40 -111.31 -37.12 5.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.849 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.401 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 7.9 t70 76.55 127.84 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.824 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.545 ' C ' HD13 ' A' ' 15' ' ' ILE . 11.4 t -55.58 165.55 0.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.545 HD13 ' C ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -120.66 -9.93 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.116 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.423 ' CD1' ' SD ' ' A' ' 59' ' ' MET . 0.6 OUTLIER -88.08 -65.97 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.872 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 28.0 p -85.83 8.18 21.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 2.6 mmm 41.17 41.14 1.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -119.22 155.76 31.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.39 121.65 8.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.933 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.504 HD23 ' NE2' ' A' ' 52' ' ' HIS . 5.9 mt -51.87 -16.67 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.877 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.459 ' HA ' ' CB ' ' A' ' 9' ' ' PRO . 18.9 t -75.63 -48.73 20.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.472 ' O ' ' HB2' ' A' ' 24' ' ' ALA . 38.4 p -51.17 -89.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.111 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' A' ' 23' ' ' THR . . . 175.4 179.34 0.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.08 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.1 t -71.91 110.59 6.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.96 -15.02 59.75 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.519 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.444 ' HB3' ' CG2' ' A' ' 31' ' ' THR . 3.5 m-30 -79.42 -14.85 58.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.925 0.393 . . . . 0.0 110.956 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.0 t -46.73 -24.23 0.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.849 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.73 -40.27 91.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.934 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.23 -57.53 4.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.499 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 73.2 p -50.14 -71.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 31' ' ' THR . 3.0 t70 82.91 -50.88 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.664 ' HB3' HD13 ' A' ' 54' ' ' LEU . 9.3 t 34.4 86.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.796 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.2 mttp -69.09 -1.73 8.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.797 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -88.48 -48.23 7.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.119 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.817 HD12 ' HA ' ' A' ' 54' ' ' LEU . 71.2 mt -78.77 -63.33 1.44 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.864 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.422 ' O ' ' CB ' ' A' ' 38' ' ' SER . . . 122.09 -19.84 8.17 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.497 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.661 ' HB2' HD23 ' A' ' 54' ' ' LEU . 1.4 p 78.07 20.91 0.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.936 0.398 . . . . 0.0 110.841 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -145.93 28.31 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.916 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.78 ' O ' HD12 ' A' ' 53' ' ' LEU . . . -121.95 102.33 8.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 179.746 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 38.6 t -96.9 137.51 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.184 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -163.04 116.94 0.74 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.467 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.428 ' C ' ' HB ' ' A' ' 3' ' ' THR . 0.3 OUTLIER -61.51 137.63 58.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.879 0.371 . . . . 0.0 110.851 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.513 HD11 ' CD2' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -71.26 103.28 2.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.493 ' N ' ' O ' ' A' ' 2' ' ' TYR . 31.7 p -41.99 -28.94 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.161 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.68 -68.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 48' ' ' SER . 26.6 p -96.76 -37.89 10.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.812 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 0.3 OUTLIER 82.96 67.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.821 -179.857 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.71 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 25.3 m170 -114.36 -101.14 0.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.936 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.71 ' HB2' ' O ' ' A' ' 49' ' ' HIS . . . 159.18 131.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.831 ' CD2' HD11 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -170.29 -172.29 1.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.879 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.504 ' NE2' HD23 ' A' ' 21' ' ' LEU . 23.4 m170 -98.59 101.92 13.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.822 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.78 HD12 ' O ' ' A' ' 40' ' ' ALA . 72.8 mt -35.99 -32.89 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.817 ' HA ' HD12 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -68.97 -61.26 1.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 34.8 m -51.48 -30.63 20.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.803 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.852 HD22 ' HD3' ' A' ' 72' ' ' PRO . 5.5 mt -73.07 -57.37 4.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.842 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 57' ' ' LEU . 0.2 OUTLIER -46.46 -20.6 0.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.404 ' N ' ' C ' ' A' ' 56' ' ' LEU . . . -81.14 -64.0 1.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.189 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.436 ' CE ' ' HB3' ' A' ' 70' ' ' GLN . 1.0 OUTLIER -72.04 -8.52 55.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 179.869 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.576 ' CD1' ' HA ' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -62.95 -18.47 63.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.853 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -9.35 4.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.555 ' C ' ' ND2' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -91.46 -51.88 5.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -137.34 -172.12 12.42 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.46 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 50.2 34.21 8.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.819 0.343 . . . . 0.0 110.858 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.521 ' HA ' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -79.96 102.1 9.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.879 179.923 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.444 ' CB ' ' OH ' ' A' ' 2' ' ' TYR . 0.2 OUTLIER -159.81 -46.45 0.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.846 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 68' ' ' SER . . . 165.78 75.32 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.506 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.583 ' OG ' HD13 ' A' ' 69' ' ' LEU . 2.3 t 160.87 -94.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.863 0.364 . . . . 0.0 110.891 -179.702 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.583 HD13 ' OG ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -174.21 -173.4 0.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.436 ' HB3' ' CE ' ' A' ' 59' ' ' MET . 66.5 tt0 -119.1 157.67 27.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.918 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.601 ' SG ' ' CE1' ' A' ' 51' ' ' PHE . 33.9 t -90.98 115.65 64.75 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.6 0.714 . . . . 0.0 110.864 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.852 ' HD3' HD22 ' A' ' 56' ' ' LEU . 54.2 Cg_endo -69.75 -14.4 36.06 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.365 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.431 ' HB3' ' ND1' ' A' ' 49' ' ' HIS . 8.7 t -78.0 -71.76 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.814 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 76' ' ' THR . 26.4 p -110.27 39.35 2.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 41.05 24.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 74' ' ' CYS . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.142 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.882 0.372 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.766 ' O ' HG23 ' A' ' 45' ' ' THR . 0.0 OUTLIER -114.06 -21.91 10.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.942 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.651 HG21 HD11 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -114.41 157.31 23.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.114 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 5' ' ' GLU . 0.4 OUTLIER -122.66 115.87 22.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.2 OUTLIER -36.31 145.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 8' ' ' VAL . 8.1 mt -113.29 117.64 32.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.73 -23.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.628 HG12 ' HD2' ' A' ' 9' ' ' PRO . 0.1 OUTLIER -150.74 148.87 24.33 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.591 0.71 . . . . 0.0 111.152 179.846 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.628 ' HD2' HG12 ' A' ' 8' ' ' VAL . 53.1 Cg_endo -69.76 127.5 14.68 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.633 2.222 . . . . 0.0 112.363 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.74 ' HD2' HG11 ' A' ' 41' ' ' VAL . 53.8 Cg_endo -69.72 -163.9 0.12 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.729 2.286 . . . . 0.0 112.34 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -125.98 49.89 1.92 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.919 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -103.09 -28.21 12.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 75.13 127.37 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.814 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.574 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 51.4 t -52.14 144.55 12.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.476 HD11 ' HD2' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -101.38 -18.8 6.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.161 179.892 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.663 HD11 HD23 ' A' ' 56' ' ' LEU . 0.8 OUTLIER -77.89 -70.49 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.128 179.87 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.4 p -79.28 -1.79 38.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 8.6 mtp 56.37 39.8 29.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -117.36 171.97 7.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.844 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.44 ' CD ' ' N ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -65.67 139.5 58.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.959 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.719 HD13 ' HG2' ' A' ' 10' ' ' PRO . 7.4 mt -71.25 0.5 7.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 p -109.49 -0.13 19.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.415 HG22 ' O ' ' A' ' 23' ' ' THR . 4.4 m -111.22 34.02 4.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.197 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 53.51 -179.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.08 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.425 ' HA ' ' ND1' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -74.7 142.29 44.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.83 -179.787 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -85.91 -18.4 59.73 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.501 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.433 ' O ' ' N ' ' A' ' 30' ' ' VAL . 8.4 m-30 -82.54 -13.38 56.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.813 0.34 . . . . 0.0 110.924 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.481 ' HB2' ' CB ' ' A' ' 38' ' ' SER . 0.1 OUTLIER -36.85 -39.82 0.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.819 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -60.5 -48.41 81.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.847 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 27' ' ' TYR . 95.4 t -83.06 -71.91 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.602 ' OG1' HD11 ' A' ' 54' ' ' LEU . 21.4 p -46.31 -74.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.151 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.485 ' CB ' ' O ' ' A' ' 31' ' ' THR . 6.6 t0 82.28 -40.29 0.11 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.838 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 32' ' ' ASP . 5.2 m 32.72 -148.83 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.944 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.29 -44.69 0.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.35 -72.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.946 HD21 HD12 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -59.98 -35.03 74.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.456 ' O ' HD23 ' A' ' 39' ' ' LEU . . . 57.47 13.29 10.8 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.43 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.635 ' CB ' HD23 ' A' ' 54' ' ' LEU . 2.0 t 65.05 46.23 2.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.952 0.406 . . . . 0.0 110.824 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.456 HD23 ' O ' ' A' ' 37' ' ' GLY . 0.6 OUTLIER -165.95 48.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.957 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -155.22 122.62 5.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.08 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.74 HG11 ' HD2' ' A' ' 10' ' ' PRO . 2.5 t -114.18 129.84 69.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.091 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -160.44 121.55 1.04 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.57 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 40.8 p-80 -67.76 147.19 52.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.877 0.37 . . . . 0.0 110.806 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -76.14 97.13 4.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.956 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.766 HG23 ' O ' ' A' ' 2' ' ' TYR . 50.3 p -34.53 -32.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.154 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 44' ' ' LEU . 8.4 tptt -47.71 -63.94 0.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.485 ' O ' ' CB ' ' A' ' 48' ' ' SER . 17.8 p -106.11 -34.1 7.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 3.0 t 82.7 64.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.705 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 0.7 OUTLIER -109.1 -100.35 0.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.705 ' HB2' ' O ' ' A' ' 49' ' ' HIS . . . 159.59 135.61 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.798 ' CD1' HD11 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -176.64 168.72 2.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.574 ' CE1' ' HB2' ' A' ' 14' ' ' CYS . 31.3 m170 -80.57 100.7 8.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.82 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.426 ' C ' ' HG ' ' A' ' 36' ' ' LEU . 42.7 mt -36.23 -30.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.778 ' C ' HD12 ' A' ' 54' ' ' LEU . 0.3 OUTLIER -74.19 -66.68 0.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.909 179.881 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 99.3 m -45.76 -33.66 3.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.798 HD11 ' CD1' ' A' ' 51' ' ' PHE . 17.0 mt -72.73 -55.92 6.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.946 HD12 HD21 ' A' ' 36' ' ' LEU . 2.5 tt -41.72 -23.91 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.965 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 56' ' ' LEU . . . -70.94 -65.98 0.67 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.07 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.0 -8.46 57.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.585 ' CD2' ' N ' ' A' ' 61' ' ' CYS . 0.0 OUTLIER -61.22 -29.81 70.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.883 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.585 ' N ' ' CD2' ' A' ' 60' ' ' TYR . 1.0 OUTLIER -57.28 -13.87 3.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -80.16 -51.48 8.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 64' ' ' ASN . . . -145.43 174.02 25.6 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.416 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.47 ' HB2' ' NE2' ' A' ' 70' ' ' GLN . 55.1 t30 38.04 50.82 1.39 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.915 0.388 . . . . 0.0 110.907 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.579 ' HA ' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -116.06 97.47 6.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -125.62 -13.12 6.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.816 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 147.87 44.18 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.498 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.603 ' C ' HD13 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -165.59 -86.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.901 0.382 . . . . 0.0 110.881 -179.708 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.651 HD11 HG21 ' A' ' 3' ' ' THR . 0.0 OUTLIER -177.73 -173.37 0.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.47 ' NE2' ' HB2' ' A' ' 64' ' ' ASN . 4.4 tp60 -129.05 156.01 44.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.979 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.436 ' CB ' HG22 ' A' ' 76' ' ' THR . 15.9 t -91.33 107.58 22.59 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.605 0.717 . . . . 0.0 110.834 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.677 ' HD3' HD22 ' A' ' 56' ' ' LEU . 53.7 Cg_endo -69.79 3.09 2.99 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.737 2.291 . . . . 0.0 112.314 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.94 -84.08 0.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 75' ' ' LYS . 14.5 p -97.39 29.86 3.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 74' ' ' CYS . 10.7 mmtm 33.98 42.38 0.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.443 ' O ' ' CG2' ' A' ' 76' ' ' THR . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.782 0.325 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.743 ' O ' HG23 ' A' ' 45' ' ' THR . 0.0 OUTLIER -111.71 -12.05 13.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.875 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.779 ' CG2' HD11 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -106.88 121.05 43.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.189 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.463 ' O ' HD23 ' A' ' 6' ' ' LEU . 62.3 tt0 -94.12 105.43 17.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 4' ' ' GLU . 8.5 tt0 -35.05 133.0 0.32 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.3 OUTLIER -88.72 104.2 16.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 6' ' ' LEU . 0.3 OUTLIER -34.21 -34.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.958 179.816 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.474 ' N ' ' O ' ' A' ' 6' ' ' LEU . 19.6 m -129.8 152.5 79.96 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.622 0.725 . . . . 0.0 111.147 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.71 140.03 41.86 Favored 'Trans proline' 0 N--CA 1.464 -0.219 0 C-N-CA 122.718 2.279 . . . . 0.0 112.378 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.498 ' O ' ' CB ' ' A' ' 11' ' ' ASP . 53.3 Cg_endo -69.8 -34.55 14.22 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.691 2.26 . . . . 0.0 112.379 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER 82.84 38.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.887 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.486 ' HB2' HD12 ' A' ' 21' ' ' LEU . 1.5 mm-40 -103.67 -94.65 0.32 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.916 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.448 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 0.3 OUTLIER 163.5 116.73 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.478 ' N ' ' O ' ' A' ' 19' ' ' GLU . 36.4 t -37.77 156.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.71 -20.51 6.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.094 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.896 HD11 HD23 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -80.29 -70.12 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.077 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 18' ' ' MET . 14.7 p -85.0 18.73 2.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.441 ' C ' ' O ' ' A' ' 17' ' ' CYS . 0.8 OUTLIER 35.32 71.17 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 14' ' ' CYS . 25.3 mm-40 -145.8 -176.84 5.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.8 mttp -77.28 132.53 38.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.936 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.74 HD21 ' HA ' ' A' ' 51' ' ' PHE . 7.7 mt -69.15 -4.23 16.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.876 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.48 -12.84 19.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.678 HG22 ' N ' ' A' ' 24' ' ' ALA . 18.5 m -83.07 -91.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.117 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.803 ' HB1' ' OG ' ' A' ' 38' ' ' SER . . . -175.77 169.08 3.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.105 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.474 ' CB ' ' HB3' ' A' ' 54' ' ' LEU . 0.1 OUTLIER -70.68 128.19 35.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.82 -179.71 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.15 -33.88 84.5 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.528 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.485 ' O ' ' N ' ' A' ' 29' ' ' ASP . 7.3 m-85 -67.82 -21.59 65.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.859 0.361 . . . . 0.0 110.921 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.565 ' HA ' HD21 ' A' ' 54' ' ' LEU . 8.1 p -39.23 -25.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.815 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.807 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.4 OUTLIER -46.62 -64.46 0.76 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.807 HG23 ' O ' ' A' ' 29' ' ' ASP . 3.4 t -167.92 90.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.132 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.485 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 1.5 t -106.62 -26.52 11.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.097 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.485 ' CB ' ' O ' ' A' ' 31' ' ' THR . 4.2 t0 82.44 34.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.853 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.719 ' OG ' HD23 ' A' ' 57' ' ' LEU . 51.4 m -85.02 150.8 24.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.671 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 34.1 tttp -44.1 -54.11 5.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.864 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.671 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . 160.95 95.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.066 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.819 HD13 HD22 ' A' ' 57' ' ' LEU . 0.6 OUTLIER -142.07 110.5 6.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 36' ' ' LEU . . . -37.04 146.38 0.08 OUTLIER Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.428 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.803 ' OG ' ' HB1' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -85.28 11.49 9.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.911 0.386 . . . . 0.0 110.816 -179.743 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.61 1.73 4.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.989 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.681 ' O ' HD12 ' A' ' 53' ' ' LEU . . . -71.56 66.79 0.51 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.114 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.3 t -46.07 118.42 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -127.98 129.34 6.31 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.543 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.549 ' O ' ' CG ' ' A' ' 43' ' ' HIS . 2.8 p80 -103.56 117.39 34.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.834 0.349 . . . . 0.0 110.877 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.568 HD12 ' HB2' ' A' ' 71' ' ' CYS . 1.1 mt -58.7 119.49 7.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.743 HG23 ' O ' ' A' ' 2' ' ' TYR . 56.3 p -72.51 2.55 6.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.164 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.12 -43.57 16.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.587 ' SG ' ' CD2' ' A' ' 49' ' ' HIS . 6.7 p -124.42 -16.93 6.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.481 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 0.3 OUTLIER 83.29 42.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.841 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.587 ' CD2' ' SG ' ' A' ' 47' ' ' CYS . 9.0 m170 -109.88 129.06 55.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.6 ' C ' ' CG ' ' A' ' 51' ' ' PHE . . . -97.67 160.16 14.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.088 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.951 ' CD2' HD11 ' A' ' 56' ' ' LEU . 0.0 OUTLIER 173.04 175.54 0.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.923 -179.927 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.464 ' CE1' ' HB2' ' A' ' 14' ' ' CYS . 35.8 m170 -68.08 102.18 1.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.711 ' HA ' HD12 ' A' ' 56' ' ' LEU . 5.7 mt -36.28 -70.14 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.727 HD13 HD21 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -37.8 -63.16 0.49 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.872 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.406 ' C ' HD12 ' A' ' 16' ' ' ILE . 98.7 m -43.22 -51.48 6.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.951 HD11 ' CD2' ' A' ' 51' ' ' PHE . 13.8 mt -54.34 -59.2 4.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.819 HD22 HD13 ' A' ' 36' ' ' LEU . 5.8 tp -44.5 -46.0 9.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.957 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.409 ' CB ' ' CD2' ' A' ' 27' ' ' TYR . . . -59.01 -61.08 2.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.092 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -70.92 -8.67 54.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.833 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.646 ' C ' ' CD2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -64.49 -14.85 59.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.923 -179.861 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.431 ' N ' ' CD2' ' A' ' 60' ' ' TYR . 0.5 OUTLIER -69.13 -9.38 52.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -93.28 -53.83 3.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 65' ' ' LYS . . . -115.94 -168.03 15.14 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.51 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.461 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 3.1 m120 44.35 -90.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.851 0.358 . . . . 0.0 110.921 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.577 ' HA ' ' CE1' ' A' ' 60' ' ' TYR . 0.1 OUTLIER 58.31 25.84 13.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.892 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.449 ' OD2' ' C ' ' A' ' 66' ' ' ASP . 0.9 OUTLIER -72.48 -36.55 68.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 179.897 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.444 ' N ' ' OH ' ' A' ' 2' ' ' TYR . . . 145.26 40.8 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.532 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.791 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -166.53 -67.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.978 0.418 . . . . 0.0 110.876 -179.714 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.779 HD11 ' CG2' ' A' ' 3' ' ' THR . 0.0 OUTLIER -171.63 -173.71 1.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.93 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.461 ' HG3' ' N ' ' A' ' 64' ' ' ASN . 4.9 tt0 -134.24 151.26 51.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.568 ' HB2' HD12 ' A' ' 44' ' ' LEU . 12.1 t -97.43 102.92 14.0 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.61 0.719 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.456 ' HG3' ' CD1' ' A' ' 16' ' ' ILE . 53.3 Cg_endo -69.8 -11.0 29.9 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.671 2.247 . . . . 0.0 112.335 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.01 -65.57 0.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.832 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.5 p -116.43 23.04 12.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.8 mttt 45.94 50.14 11.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.124 -179.972 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.842 0.353 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.588 ' CE2' ' HB2' ' A' ' 68' ' ' SER . 0.0 OUTLIER -116.14 -4.41 11.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.965 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.893 HG21 HD11 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -128.94 155.78 44.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.202 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 5' ' ' GLU . 0.1 OUTLIER -128.36 110.99 12.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.969 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 4' ' ' GLU . 6.6 tt0 -35.05 143.52 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.838 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 8' ' ' VAL . 18.0 mt -94.06 115.37 27.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.965 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 6' ' ' LEU . 4.0 mmtp -38.31 -26.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.911 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.501 ' N ' ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -148.54 158.85 39.86 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.577 0.703 . . . . 0.0 111.116 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 131.49 21.22 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.645 2.23 . . . . 0.0 112.338 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.703 ' HD2' HG21 ' A' ' 41' ' ' VAL . 53.5 Cg_endo -69.79 -163.76 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.63 2.22 . . . . 0.0 112.313 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -143.39 49.22 1.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.523 ' HB2' HD12 ' A' ' 21' ' ' LEU . 57.6 mm-40 -115.61 -96.25 0.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER 160.23 136.14 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.845 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 53.0 t -47.79 162.79 0.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -114.99 -27.34 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.145 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.584 HD12 ' HB3' ' A' ' 55' ' ' CYS . 8.3 mt -81.66 -68.48 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.179 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.497 ' SG ' ' CG ' ' A' ' 19' ' ' GLU . 18.3 p -73.36 -11.67 60.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.3 29.99 17.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.497 ' CG ' ' SG ' ' A' ' 17' ' ' CYS . 7.9 mm-40 -110.05 160.25 16.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.896 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.64 138.67 22.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.756 HD21 ' HA ' ' A' ' 51' ' ' PHE . 10.5 mt -66.21 -11.88 52.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.843 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.06 -17.68 16.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.456 HG22 ' O ' ' A' ' 23' ' ' THR . 4.8 m -84.13 29.6 0.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.105 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.431 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . 51.15 176.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.059 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.411 ' CB ' ' HB3' ' A' ' 54' ' ' LEU . 19.7 t -68.25 147.22 52.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -83.79 -21.83 56.89 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.51 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.549 ' HB3' HG23 ' A' ' 31' ' ' THR . 21.3 m-85 -94.48 4.83 53.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.9 0.381 . . . . 0.0 110.929 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -42.66 -23.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 27' ' ' TYR . 0.3 OUTLIER -101.27 -38.0 8.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.824 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.99 -67.22 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.549 HG23 ' HB3' ' A' ' 27' ' ' TYR . 10.8 p -58.88 -152.84 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.175 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.466 ' O ' ' N ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -153.31 -37.02 0.1 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.849 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 32' ' ' ASP . 8.7 m -37.37 94.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -84.38 -13.06 53.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.877 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.47 -48.67 37.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.186 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.533 ' CD1' HD12 ' A' ' 57' ' ' LEU . 18.6 mt -72.56 -32.57 66.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.79 11.51 84.53 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.516 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.9 p 37.45 78.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.913 0.387 . . . . 0.0 110.869 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 39' ' ' LEU . 5.4 tp 177.22 -28.76 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.851 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -80.47 108.12 13.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.703 HG21 ' HD2' ' A' ' 10' ' ' PRO . 2.9 t -74.76 120.19 23.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.59 ' HA3' HD21 ' A' ' 53' ' ' LEU . . . -123.56 132.74 8.6 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.431 ' O ' ' CG ' ' A' ' 43' ' ' HIS . 1.9 p80 -106.53 123.59 48.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.795 0.331 . . . . 0.0 110.877 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.602 HD12 ' CD2' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -63.01 95.06 0.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.519 HG22 ' O ' ' A' ' 2' ' ' TYR . 0.0 OUTLIER -38.7 -25.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.145 179.918 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 44' ' ' LEU . 1.7 tptp -53.38 -51.61 61.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 18.7 p -120.47 -34.86 3.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.8 m 74.41 74.55 0.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.493 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 29.4 m170 -115.66 -25.98 7.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.601 ' C ' ' CG ' ' A' ' 51' ' ' PHE . . . 71.2 143.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.075 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.837 ' HB2' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -178.99 -169.08 0.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.945 ' O ' HD22 ' A' ' 56' ' ' LEU . 43.2 m170 -86.29 95.21 9.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.59 HD21 ' HA3' ' A' ' 42' ' ' GLY . 10.0 mt -35.3 -30.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.931 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.551 ' CD1' ' C ' ' A' ' 54' ' ' LEU . 0.3 OUTLIER -69.27 -61.66 1.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.955 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.584 ' HB3' HD12 ' A' ' 16' ' ' ILE . 96.7 m -49.87 -62.84 1.34 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.945 HD22 ' O ' ' A' ' 52' ' ' HIS . 0.2 OUTLIER -40.21 -52.08 2.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.533 HD12 ' CD1' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -45.04 -56.65 4.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.977 179.849 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.54 -55.56 33.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.139 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.442 ' HB2' HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -63.89 -16.33 61.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.631 ' C ' ' CD1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -70.65 -14.43 62.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.918 -179.882 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 31.2 p -60.01 -9.87 3.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -90.55 -46.63 8.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 60' ' ' TYR . . . -142.29 -174.47 14.89 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.521 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.474 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 3.4 t-20 48.1 53.66 11.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.92 0.391 . . . . 0.0 110.861 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.579 ' HA ' ' CE2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -94.15 106.7 18.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.891 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.437 ' CB ' ' OH ' ' A' ' 2' ' ' TYR . 0.4 OUTLIER -164.07 -37.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.867 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.437 ' N ' ' OH ' ' A' ' 2' ' ' TYR . . . 151.91 73.99 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.491 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.67 ' C ' HD13 ' A' ' 69' ' ' LEU . 0.6 OUTLIER 168.65 -92.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.955 0.407 . . . . 0.0 110.894 -179.697 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.893 HD11 HG21 ' A' ' 3' ' ' THR . 0.0 OUTLIER 178.11 -173.34 0.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.922 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.491 ' N ' ' HB2' ' A' ' 60' ' ' TYR . 9.2 tp60 -130.25 143.29 50.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.45 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 6.4 t -76.35 111.45 15.55 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.626 0.727 . . . . 0.0 110.938 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.577 ' HD3' HD12 ' A' ' 56' ' ' LEU . 52.9 Cg_endo -69.76 -7.74 21.82 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.668 2.246 . . . . 0.0 112.32 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.433 ' HB3' ' ND1' ' A' ' 49' ' ' HIS . 0.4 OUTLIER -82.13 -82.56 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.858 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 75' ' ' LYS . 20.2 p -99.85 34.14 2.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.856 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 74' ' ' CYS . 0.0 OUTLIER 37.0 43.56 0.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.911 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.433 ' CG2' ' HB3' ' A' ' 46' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.129 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 9.9 m120 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.863 0.363 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.584 ' CD1' ' CB ' ' A' ' 68' ' ' SER . 2.6 m-30 -91.89 -28.63 17.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.741 ' HA ' HG23 ' A' ' 45' ' ' THR . 0.5 OUTLIER -145.01 175.07 10.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.148 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.449 ' N ' ' OG1' ' A' ' 3' ' ' THR . 6.1 tt0 -111.3 119.41 38.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.871 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 4' ' ' GLU . 6.3 tt0 -34.97 133.57 0.28 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.952 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.569 HD23 ' N ' ' A' ' 6' ' ' LEU . 3.1 mt -82.57 -25.85 32.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.98 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.508 ' CB ' ' O ' ' A' ' 6' ' ' LEU . 4.3 tttt 83.43 -34.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -132.82 144.34 52.46 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.708 0.766 . . . . 0.0 111.125 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.459 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 54.0 Cg_endo -69.82 110.32 2.54 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 122.606 2.204 . . . . 0.0 112.382 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.487 ' HG2' HD12 ' A' ' 21' ' ' LEU . 53.6 Cg_endo -69.7 -164.72 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.673 2.249 . . . . 0.0 112.321 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -105.14 32.61 4.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -98.25 -38.18 9.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 61.55 130.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.836 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.516 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 46.1 t -44.15 160.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.856 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -119.86 -20.26 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.579 HG22 ' CE1' ' A' ' 27' ' ' TYR . 0.9 OUTLIER -76.56 -66.25 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.153 179.857 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.4 p -81.3 -3.61 53.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.829 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 54.38 53.08 11.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -133.34 -177.74 4.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.821 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -76.17 132.31 39.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.615 HD13 HG11 ' A' ' 41' ' ' VAL . 8.2 mt -60.18 -10.05 4.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 83.3 p -86.81 -45.4 10.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.64 HG22 ' N ' ' A' ' 24' ' ' ALA . 20.0 m -51.3 -89.58 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.64 ' N ' HG22 ' A' ' 23' ' ' THR . . . 170.21 164.91 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.132 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.84 126.27 19.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -71.7 -27.62 70.63 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.49 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.579 ' CE1' HG22 ' A' ' 16' ' ' ILE . 13.7 m-30 -83.92 -0.34 50.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.874 0.369 . . . . 0.0 110.915 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.2 t -57.74 -12.32 2.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -82.35 -22.32 35.58 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.856 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.6 p -123.37 -8.39 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.19 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.469 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 42.4 p -110.35 -93.43 0.44 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.086 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 34' ' ' LYS . 1.4 t0 80.86 -5.75 1.68 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.82 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.754 ' CB ' HD12 ' A' ' 36' ' ' LEU . 1.8 t 42.96 -91.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.855 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 32' ' ' ASP . 0.6 OUTLIER 164.07 -23.12 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 179.903 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -119.11 -42.86 2.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.848 HD13 ' HA ' ' A' ' 54' ' ' LEU . 1.4 mt -55.71 -40.89 73.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.553 ' O ' HD23 ' A' ' 39' ' ' LEU . . . 63.99 12.95 51.15 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.454 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.9 t 61.7 59.77 1.73 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.91 0.386 . . . . 0.0 110.903 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.553 HD23 ' O ' ' A' ' 37' ' ' GLY . 0.9 OUTLIER -177.65 57.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.934 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.696 ' HB1' HD12 ' A' ' 53' ' ' LEU . . . -149.55 105.28 3.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.134 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.615 HG11 HD13 ' A' ' 21' ' ' LEU . 32.6 t -102.46 123.14 55.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -151.43 135.82 5.25 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.5 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.449 ' O ' ' C ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -89.75 103.82 16.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.838 0.351 . . . . 0.0 110.839 -179.883 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.759 HD13 ' CG2' ' A' ' 76' ' ' THR . 0.2 OUTLIER -33.59 120.38 0.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.885 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.741 HG23 ' HA ' ' A' ' 3' ' ' THR . 14.3 p -64.06 -10.65 23.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.679 ' HB2' HD22 ' A' ' 44' ' ' LEU . 4.5 mtmm -73.45 -68.26 0.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.469 ' SG ' ' CD2' ' A' ' 49' ' ' HIS . 26.4 p -96.42 -16.35 21.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER 60.39 70.66 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.819 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.711 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 20.8 m170 -115.79 -101.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.844 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.711 ' HB2' ' O ' ' A' ' 49' ' ' HIS . . . 158.32 133.18 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.023 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.626 ' CD2' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -178.99 178.04 0.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.516 ' CE1' ' HB2' ' A' ' 14' ' ' CYS . 22.9 m170 -88.02 103.51 15.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.696 HD12 ' HB1' ' A' ' 40' ' ' ALA . 24.3 mt -36.3 -29.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.848 ' HA ' HD13 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -78.11 -68.47 0.63 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.915 179.896 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 54' ' ' LEU . 57.6 m -35.61 -38.31 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.815 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.626 HD21 ' CD2' ' A' ' 51' ' ' PHE . 0.1 OUTLIER -72.72 -51.48 19.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.679 HD22 ' O ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -39.59 -25.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.91 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 56' ' ' LEU . . . -77.02 -65.46 0.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.492 ' SD ' ' CD1' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -68.97 -8.62 46.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.872 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.541 ' CZ ' ' HG3' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -64.11 -21.47 66.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 -179.792 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.05 -9.41 4.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -90.8 -54.06 4.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -135.62 -167.54 11.33 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.519 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.488 ' ND2' ' C ' ' A' ' 76' ' ' THR . 11.5 t-20 38.77 36.19 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.846 0.355 . . . . 0.0 110.905 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.541 ' HG3' ' CZ ' ' A' ' 60' ' ' TYR . 0.8 OUTLIER -85.64 77.35 9.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.906 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -114.38 -36.7 4.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 156.84 33.46 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.527 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.679 ' O ' HD22 ' A' ' 57' ' ' LEU . 66.1 m -155.06 -87.3 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.848 0.356 . . . . 0.0 110.905 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.611 HD13 ' HB3' ' A' ' 68' ' ' SER . 0.0 OUTLIER -166.88 -173.34 2.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.496 ' N ' ' HB2' ' A' ' 60' ' ' TYR . 66.4 tt0 -123.69 157.63 33.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 14.8 t -100.81 115.47 65.28 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.61 0.719 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -10.65 29.07 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.622 2.214 . . . . 0.0 112.369 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.13 -77.87 0.21 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.825 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 76' ' ' THR . 26.2 p -104.48 38.3 1.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.589 ' N ' ' CD ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER 37.74 31.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.828 179.91 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.759 ' CG2' HD13 ' A' ' 44' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.139 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ASN . . . . . 0.88 ' CG ' HD23 ' A' ' 36' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.823 0.344 . . . . 0.0 110.901 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.59 ' CE1' ' HA ' ' A' ' 68' ' ' SER . 0.1 OUTLIER -110.09 5.62 22.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.936 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.813 HG22 HD23 ' A' ' 44' ' ' LEU . 2.6 p -122.45 133.4 54.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.148 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.493 ' O ' ' CG ' ' A' ' 4' ' ' GLU . 0.6 OUTLIER -34.37 93.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 3' ' ' THR . 9.6 tt0 -58.79 158.02 8.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 8' ' ' VAL . 14.3 mt -118.36 122.48 42.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -34.29 -35.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 179.814 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 6' ' ' LEU . 1.4 m -148.04 157.13 43.58 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.625 0.726 . . . . 0.0 111.127 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.415 ' HB3' HG21 ' A' ' 41' ' ' VAL . 53.4 Cg_endo -69.81 125.77 12.5 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.697 2.265 . . . . 0.0 112.258 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.477 ' HD2' HG11 ' A' ' 41' ' ' VAL . 54.3 Cg_endo -69.72 -163.87 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.699 2.266 . . . . 0.0 112.374 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -116.26 32.19 6.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -88.54 -25.12 22.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.7 t70 65.4 128.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.468 ' N ' ' HG ' ' A' ' 21' ' ' LEU . 46.1 t -41.58 163.92 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.832 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -113.83 -24.55 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.139 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.473 HD11 ' HG3' ' A' ' 72' ' ' PRO . 0.6 OUTLIER -76.13 -70.1 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.843 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 18' ' ' MET . 30.0 p -82.07 15.28 2.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.43 ' C ' ' O ' ' A' ' 17' ' ' CYS . 6.5 mtp 35.58 51.69 0.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -130.94 165.27 23.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -56.24 136.72 52.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.961 HD21 ' HA ' ' A' ' 51' ' ' PHE . 13.7 mt -68.78 -2.0 8.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.925 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -113.68 12.53 18.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.2 p -116.92 26.87 9.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.101 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 60.07 170.75 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.418 ' HA ' ' ND1' ' A' ' 52' ' ' HIS . 2.9 t -71.6 144.9 49.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.887 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -82.56 -26.15 47.8 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.513 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.422 ' CZ ' HG22 ' A' ' 16' ' ' ILE . 10.3 m-30 -82.99 4.66 25.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.879 0.371 . . . . 0.0 110.916 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 91.4 p -60.63 -10.24 4.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.899 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -86.1 -11.46 52.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -129.35 -53.47 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.144 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.616 ' OG1' HD11 ' A' ' 54' ' ' LEU . 27.0 p -58.59 -45.66 88.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 43.29 31.11 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.7 ' HB3' HD13 ' A' ' 54' ' ' LEU . 0.9 OUTLIER -40.6 102.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.906 -179.818 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -88.39 30.43 0.89 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -125.16 -42.11 2.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.106 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.88 HD23 ' CG ' ' A' ' 1' ' ' ASN . 44.6 mt -81.62 -62.6 1.6 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.973 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 141.92 -20.86 2.5 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.484 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 43.1 t 63.61 20.34 12.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.896 0.379 . . . . 0.0 110.87 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -153.25 23.13 0.55 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.445 ' CB ' HD12 ' A' ' 53' ' ' LEU . . . -110.59 139.47 45.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.477 HG11 ' HD2' ' A' ' 10' ' ' PRO . 3.4 t -119.03 124.14 72.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.16 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.404 ' C ' ' OG1' ' A' ' 3' ' ' THR . . . -157.66 140.95 7.4 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.54 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 43' ' ' HIS . 0.3 OUTLIER -94.24 115.44 27.69 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.741 0.305 . . . . 0.0 110.914 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.813 HD23 HG22 ' A' ' 3' ' ' THR . 1.2 mt -36.49 139.35 0.18 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.858 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 p -82.58 37.49 0.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.46 -57.22 1.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.59 ' SG ' ' CD2' ' A' ' 49' ' ' HIS . 6.6 p -110.67 -16.51 13.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 1.5 m 83.04 26.43 0.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.606 ' O ' ' CZ ' ' A' ' 51' ' ' PHE . 12.1 m170 -89.46 126.33 35.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.578 ' C ' ' CG ' ' A' ' 51' ' ' PHE . . . -89.6 160.91 16.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.146 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.961 ' HA ' HD21 ' A' ' 21' ' ' LEU . 0.0 OUTLIER 170.38 -170.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 -179.908 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.63 ' O ' HD12 ' A' ' 56' ' ' LEU . 36.5 m170 -87.52 97.68 10.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.907 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.589 ' C ' HD13 ' A' ' 36' ' ' LEU . 38.4 mt -35.93 -30.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.939 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.843 ' O ' HD12 ' A' ' 54' ' ' LEU . 0.3 OUTLIER -69.9 -58.85 3.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 179.918 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.527 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 75.0 m -49.45 -47.46 48.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.845 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.842 HD21 ' CE2' ' A' ' 51' ' ' PHE . 5.6 mp -55.66 -57.77 10.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.412 ' HB2' HD11 ' A' ' 36' ' ' LEU . 15.8 tp -45.68 -26.87 0.69 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.991 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 55' ' ' CYS . . . -69.52 -66.56 0.57 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.059 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.507 ' CE ' ' O ' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -74.13 -8.38 55.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.55 ' CD1' ' HA ' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -56.13 -28.69 58.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.004 -179.882 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.475 ' N ' ' CD2' ' A' ' 60' ' ' TYR . 0.1 OUTLIER -60.64 -9.36 3.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.911 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 -83.59 -49.57 9.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.485 ' N ' ' OE1' ' A' ' 70' ' ' GLN . . . -138.25 -172.03 12.4 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.491 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 76' ' ' THR . 0.5 OUTLIER 63.28 -74.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.939 0.399 . . . . 0.0 110.895 -179.866 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.52 ' HA ' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER 41.79 82.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -151.09 59.13 0.91 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 45.36 51.24 9.53 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.447 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.599 ' C ' HD13 ' A' ' 69' ' ' LEU . 58.7 m -168.71 -96.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.863 0.363 . . . . 0.0 110.814 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.599 HD13 ' C ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -172.55 -174.05 1.12 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.951 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.627 ' O ' HD23 ' A' ' 56' ' ' LEU . 52.7 tt0 -129.18 158.0 40.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.949 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.427 ' HB3' ' C ' ' A' ' 76' ' ' THR . 4.9 t -88.96 111.47 44.94 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.653 0.739 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.576 ' HD2' ' CE1' ' A' ' 51' ' ' PHE . 53.9 Cg_endo -69.73 -16.53 37.71 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.638 2.225 . . . . 0.0 112.369 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.403 ' HB3' ' ND1' ' A' ' 49' ' ' HIS . 0.3 OUTLIER -68.73 -81.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.89 -179.847 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 19.2 p -99.37 29.71 3.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt 48.21 45.97 19.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.436 ' O ' ' ND2' ' A' ' 64' ' ' ASN . 2.5 m . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.883 0.373 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.573 ' O ' HG23 ' A' ' 45' ' ' THR . 9.9 m-30 -87.36 -28.36 22.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.94 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.79 ' HA ' HG23 ' A' ' 45' ' ' THR . 0.5 OUTLIER -141.46 173.48 11.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.11 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 5' ' ' GLU . 0.5 OUTLIER -112.58 111.32 22.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 4' ' ' GLU . 22.9 tt0 -35.15 137.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.826 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.823 HD11 ' CD2' ' A' ' 43' ' ' HIS . 16.9 mt -86.63 -24.81 25.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.458 ' CB ' ' O ' ' A' ' 6' ' ' LEU . 5.6 tttt 81.38 -14.61 0.8 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.5 m -144.37 145.85 30.72 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.638 0.732 . . . . 0.0 111.088 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.472 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 54.4 Cg_endo -69.74 110.38 2.54 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.578 2.185 . . . . 0.0 112.37 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.608 ' HG2' HD13 ' A' ' 21' ' ' LEU . 53.8 Cg_endo -69.77 -163.83 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.685 2.257 . . . . 0.0 112.327 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -119.81 63.66 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.526 ' HB2' HD12 ' A' ' 21' ' ' LEU . 5.3 mm-40 -121.88 -25.43 5.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 65.38 123.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.572 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 42.6 t -46.02 153.03 0.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -111.09 -19.04 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.07 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.595 HD11 ' CD2' ' A' ' 56' ' ' LEU . 1.0 OUTLIER -77.73 -67.24 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.15 179.841 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.3 p -81.97 -6.66 59.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.67 43.64 15.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.959 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -122.93 159.32 28.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.973 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.88 135.96 35.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.608 HD13 ' HG2' ' A' ' 10' ' ' PRO . 7.2 mt -68.53 -7.35 31.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.46 -47.57 13.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.878 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.538 ' O ' ' HB2' ' A' ' 24' ' ' ALA . 10.7 p -55.64 -89.64 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.129 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.538 ' HB2' ' O ' ' A' ' 23' ' ' THR . . . 171.78 177.56 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.1 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.64 135.01 56.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -83.14 -20.35 60.95 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.497 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.5 m-30 -90.71 1.68 56.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.875 0.369 . . . . 0.0 110.835 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.5 t -52.72 -18.09 1.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.848 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.99 -36.59 81.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.493 ' O ' HG13 ' A' ' 30' ' ' VAL . 3.1 p -165.69 86.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.123 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.489 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -115.16 -22.58 9.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.489 ' CB ' ' O ' ' A' ' 31' ' ' THR . 7.0 t0 82.29 16.41 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.804 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.4 p -92.59 120.91 33.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.21 13.73 34.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.922 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -121.68 -50.5 2.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.066 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.781 HD11 HD23 ' A' ' 57' ' ' LEU . 1.0 OUTLIER -78.48 117.96 20.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.929 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -91.32 19.96 43.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.489 ' O ' ' HB1' ' A' ' 24' ' ' ALA . 10.7 p 60.92 50.23 5.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.887 0.375 . . . . 0.0 110.857 -179.753 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.404 ' CG ' ' O ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -164.15 49.97 0.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -149.96 151.77 33.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.442 HG21 ' HA ' ' A' ' 9' ' ' PRO . 0.1 OUTLIER -139.83 135.11 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -151.64 122.89 1.4 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.488 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.823 ' CD2' HD11 ' A' ' 6' ' ' LEU . 7.8 m170 -81.22 100.16 8.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.784 0.326 . . . . 0.0 110.821 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.599 HD23 HG22 ' A' ' 76' ' ' THR . 2.3 tp -34.27 118.62 0.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.919 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.79 HG23 ' HA ' ' A' ' 3' ' ' THR . 41.0 p -58.79 -26.17 63.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.192 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.87 -64.73 0.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.519 ' SG ' ' CD2' ' A' ' 49' ' ' HIS . 32.1 p -100.38 -36.68 9.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 44' ' ' LEU . 1.5 t 81.89 68.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.709 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 26.6 m170 -115.59 -103.33 0.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.709 ' HB2' ' O ' ' A' ' 49' ' ' HIS . . . 158.98 134.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.834 ' CD1' HD11 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -174.53 168.31 3.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.572 ' CE1' ' HB2' ' A' ' 14' ' ' CYS . 34.1 m170 -76.27 100.44 5.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.841 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 52' ' ' HIS . 26.6 mt -36.14 -30.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.96 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.509 ' HA ' HD13 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -73.48 -70.16 0.39 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.976 179.887 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 89.1 m -42.37 -29.12 0.24 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.834 HD11 ' CD1' ' A' ' 51' ' ' PHE . 7.0 mt -76.38 -49.19 17.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.829 HD22 ' O ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -44.25 -21.67 0.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.894 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 56' ' ' LEU . . . -77.92 -66.92 0.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.048 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.456 ' CE ' ' HB3' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -60.61 -38.22 83.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.585 ' CD2' ' HA ' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -43.52 -22.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 -179.857 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.533 ' N ' ' CD1' ' A' ' 60' ' ' TYR . 24.3 p -48.45 -29.65 4.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.947 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -97.64 -70.38 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.837 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.516 ' O ' ' N ' ' A' ' 65' ' ' LYS . . . -67.87 174.91 28.25 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.465 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.493 ' ND2' ' OE1' ' A' ' 70' ' ' GLN . 27.3 m-20 34.23 -92.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.871 0.367 . . . . 0.0 110.887 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.579 ' HA ' ' CE2' ' A' ' 60' ' ' TYR . 10.3 tttp 52.32 71.89 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.457 ' CB ' ' OH ' ' A' ' 2' ' ' TYR . 0.4 OUTLIER -138.47 3.93 2.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 179.913 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.433 ' O ' ' CB ' ' A' ' 68' ' ' SER . . . 122.79 63.56 0.21 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.539 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.829 ' O ' HD22 ' A' ' 57' ' ' LEU . 0.5 OUTLIER 165.66 -83.63 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.848 0.356 . . . . 0.0 110.857 -179.717 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.619 HD13 ' C ' ' A' ' 68' ' ' SER . 0.0 OUTLIER 177.46 -172.4 0.11 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.572 ' O ' HD13 ' A' ' 56' ' ' LEU . 4.4 tp60 -127.01 157.7 38.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.429 ' SG ' ' CE2' ' A' ' 51' ' ' PHE . 6.0 t -91.81 112.12 53.03 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.619 0.723 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.587 ' HD3' HD22 ' A' ' 56' ' ' LEU . 53.8 Cg_endo -69.75 -8.23 23.08 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.659 2.239 . . . . 0.0 112.393 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.28 -81.84 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 76' ' ' THR . 21.2 p -100.38 33.88 2.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.882 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 74' ' ' CYS . 0.8 OUTLIER 37.19 31.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.599 HG22 HD23 ' A' ' 44' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.134 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.788 0.327 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.579 ' HB2' HD11 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -106.38 -6.72 18.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.973 ' CG2' HD22 ' A' ' 44' ' ' LEU . 19.1 p -103.26 161.9 13.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.176 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -116.79 109.9 17.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.434 ' O ' HD23 ' A' ' 6' ' ' LEU . 0.6 OUTLIER -47.38 157.69 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.884 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 8' ' ' VAL . 1.8 mt -130.56 106.5 8.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 6' ' ' LEU . 15.9 mttt -37.32 -28.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' A' ' 6' ' ' LEU . 3.8 m -137.36 144.25 44.69 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.56 0.695 . . . . 0.0 111.173 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 126.32 13.18 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.739 2.293 . . . . 0.0 112.304 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.475 ' HG2' ' CD1' ' A' ' 21' ' ' LEU . 53.8 Cg_endo -69.81 -163.87 0.12 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.718 2.279 . . . . 0.0 112.336 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -116.52 60.28 0.73 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -121.38 -21.56 6.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 65.21 131.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.8 t -50.78 152.23 2.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.83 -12.94 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.083 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.736 HG22 ' CE2' ' A' ' 27' ' ' TYR . 9.9 mm -78.88 -70.21 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 28.0 p -86.94 2.26 49.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.919 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 55.36 42.43 30.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 20' ' ' LYS . 6.6 mm-40 -125.98 144.28 50.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -34.39 139.65 0.08 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.698 HD21 ' HA ' ' A' ' 51' ' ' PHE . 6.8 mt -64.85 -5.86 6.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -105.22 -10.38 17.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.412 ' OG1' ' CB ' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -87.91 24.43 1.78 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.198 -179.907 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.544 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . 54.7 168.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.085 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.495 ' CB ' ' SG ' ' A' ' 55' ' ' CYS . 0.4 OUTLIER -64.58 136.45 57.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 -179.758 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -84.96 -18.43 61.23 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.432 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.736 ' CE2' HG22 ' A' ' 16' ' ' ILE . 10.5 m-30 -85.7 -12.01 52.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.909 0.385 . . . . 0.0 110.93 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.548 ' HA ' HD21 ' A' ' 54' ' ' LEU . 3.5 t -49.13 -24.23 1.57 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.923 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.02 -34.93 78.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.823 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.2 m -118.29 0.31 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.135 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.873 HG21 ' HB2' ' A' ' 58' ' ' ALA . 2.9 m -128.01 117.53 21.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.116 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 33' ' ' SER . 37.8 t70 -106.2 85.41 2.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.463 ' HA ' HD23 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -37.73 156.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.871 -179.751 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.5 mttt -118.3 8.24 12.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.83 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -151.73 -53.65 0.13 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.077 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.895 ' CD2' HD22 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -66.89 -70.38 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.486 ' O ' ' CB ' ' A' ' 38' ' ' SER . . . 129.65 -72.85 0.47 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.464 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 37' ' ' GLY . 2.9 t 161.02 -20.83 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.901 0.382 . . . . 0.0 110.827 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -115.13 42.57 2.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.85 ' O ' HD12 ' A' ' 53' ' ' LEU . . . -131.78 130.64 42.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.077 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.412 HG11 ' HD2' ' A' ' 10' ' ' PRO . 0.2 OUTLIER -103.27 143.91 14.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.652 ' HA3' HD21 ' A' ' 53' ' ' LEU . . . -125.37 174.71 17.45 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.486 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.446 ' O ' ' C ' ' A' ' 44' ' ' LEU . 3.2 t-160 -154.48 79.66 1.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.813 0.34 . . . . 0.0 110.861 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.973 HD22 ' CG2' ' A' ' 3' ' ' THR . 0.0 OUTLIER -34.61 109.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.404 HG23 ' H ' ' A' ' 45' ' ' THR . 0.6 OUTLIER -75.99 7.12 4.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.187 179.876 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.1 tptt -88.92 -39.74 13.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.964 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.548 ' SG ' ' CD2' ' A' ' 49' ' ' HIS . 7.3 p -125.0 -15.41 6.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 1.5 m 83.33 40.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.558 ' CE1' ' HG ' ' A' ' 73' ' ' SER . 8.1 m170 -111.93 131.78 55.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.606 ' C ' ' CG ' ' A' ' 51' ' ' PHE . . . -106.97 166.04 10.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.131 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 1.021 ' CD2' HD11 ' A' ' 56' ' ' LEU . 0.0 OUTLIER 167.36 166.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 -179.919 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.544 ' CE1' ' O ' ' A' ' 24' ' ' ALA . 48.4 m170 -61.29 100.79 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.85 HD12 ' O ' ' A' ' 40' ' ' ALA . 8.0 mt -37.92 -60.47 0.73 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.563 ' C ' HD12 ' A' ' 54' ' ' LEU . 1.0 OUTLIER -45.5 -67.23 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.495 ' SG ' ' CB ' ' A' ' 25' ' ' SER . 71.6 m -38.49 -45.18 1.02 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 1.021 HD11 ' CD2' ' A' ' 51' ' ' PHE . 10.0 mt -65.36 -57.8 7.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.895 HD22 ' CD2' ' A' ' 36' ' ' LEU . 22.3 tp -37.3 -28.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.961 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.873 ' HB2' HG21 ' A' ' 31' ' ' THR . . . -74.5 -44.55 50.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.097 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.502 ' N ' ' O ' ' A' ' 56' ' ' LEU . 2.3 ppp? -90.23 -7.87 52.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.509 ' C ' ' CD2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -69.66 -16.36 63.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 -179.833 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.48 -10.7 3.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -97.49 -58.02 2.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.892 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 64' ' ' ASN . . . -108.86 177.13 20.31 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.451 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.482 ' O ' ' CE1' ' A' ' 60' ' ' TYR . 20.9 m-20 34.12 57.73 0.62 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.867 0.365 . . . . 0.0 110.9 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.2 105.91 18.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.441 ' CB ' ' OH ' ' A' ' 2' ' ' TYR . 4.2 t0 -155.33 -36.47 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 144.36 40.25 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.474 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.74 ' HB2' HD13 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -150.21 -89.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.997 0.427 . . . . 0.0 110.898 -179.828 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.779 HD22 ' C ' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -172.0 -179.65 2.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.909 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.609 ' O ' HD22 ' A' ' 56' ' ' LEU . 10.1 tt0 -135.13 151.63 50.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.472 ' N ' ' HG2' ' A' ' 70' ' ' GLN . 12.7 t -93.94 105.72 18.43 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.624 0.726 . . . . 0.0 110.851 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.538 ' HG3' HD11 ' A' ' 16' ' ' ILE . 54.1 Cg_endo -69.7 -27.68 26.48 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.735 2.29 . . . . 0.0 112.341 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.558 ' HG ' ' CE1' ' A' ' 49' ' ' HIS . 0.3 OUTLIER -50.7 -65.24 0.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.855 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.5 p -114.79 23.55 12.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? 47.03 62.11 2.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.135 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 37.2 m-20 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.749 0.309 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.752 ' O ' HG23 ' A' ' 45' ' ' THR . 0.2 OUTLIER -100.21 -16.55 17.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.942 -179.866 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.682 ' CG2' HD11 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -104.09 154.1 20.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.108 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.13 121.29 38.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.98 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.513 ' HG3' ' HB1' ' A' ' 40' ' ' ALA . 35.4 tt0 -38.97 145.5 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.526 ' HB2' HG13 ' A' ' 41' ' ' VAL . 3.4 mt -107.94 114.04 27.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.79 -13.53 1.81 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.962 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -157.45 159.23 30.92 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.671 0.748 . . . . 0.0 111.028 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 127.71 14.98 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.687 2.258 . . . . 0.0 112.291 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.47 ' O ' ' CB ' ' A' ' 11' ' ' ASP . 54.5 Cg_endo -69.79 -90.84 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.646 2.231 . . . . 0.0 112.386 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.47 ' CB ' ' O ' ' A' ' 10' ' ' PRO . 2.6 m-20 163.13 35.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.802 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.85 -22.89 10.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.428 ' C ' ' HG ' ' A' ' 21' ' ' LEU . 1.4 m-20 64.88 129.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.822 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.59 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 49.4 t -42.12 163.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.48 HD13 ' C ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -119.34 -24.56 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.177 179.874 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.992 HD11 HD23 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -71.33 -66.78 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.887 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 18' ' ' MET . 17.3 p -90.76 22.73 3.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.841 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.432 ' C ' ' O ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER 35.27 43.78 0.14 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.407 ' CB ' ' SG ' ' A' ' 17' ' ' CYS . 16.3 tp10 -118.42 156.63 28.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.426 ' CB ' ' OG1' ' A' ' 23' ' ' THR . 0.0 OUTLIER -52.61 148.11 7.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.95 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.764 HD21 ' CA ' ' A' ' 51' ' ' PHE . 9.8 mt -77.91 4.47 11.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -119.65 -22.13 7.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.426 ' OG1' ' CB ' ' A' ' 20' ' ' LYS . 0.8 OUTLIER -83.97 31.98 0.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.161 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 56.28 176.36 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.501 ' HB3' HD23 ' A' ' 54' ' ' LEU . 1.7 t -75.91 152.94 37.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.806 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -95.67 -16.06 40.84 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.447 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.434 ' O ' ' N ' ' A' ' 29' ' ' ASP . 12.0 m-30 -85.58 -6.64 59.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.874 0.369 . . . . 0.0 110.914 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.6 ' HA ' HD21 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -41.29 -25.48 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.842 -179.867 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 27' ' ' TYR . 0.9 OUTLIER -57.14 -58.95 5.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.852 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.486 ' O ' ' N ' ' A' ' 32' ' ' ASP . 40.0 t -86.86 -69.17 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.126 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.85 ' OG1' HD11 ' A' ' 54' ' ' LEU . 33.1 p -41.02 91.9 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 30' ' ' VAL . 0.5 OUTLIER -94.48 68.39 3.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.856 179.895 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.698 ' CB ' HD12 ' A' ' 36' ' ' LEU . 5.0 p -75.85 168.64 19.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.11 39.87 3.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -158.45 -36.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.132 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 1.017 HD11 HD22 ' A' ' 57' ' ' LEU . 1.1 mt -77.06 -28.38 54.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.7 16.15 5.27 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.3 p 46.31 54.88 7.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.932 0.396 . . . . 0.0 110.86 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -177.42 56.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.861 ' O ' HD12 ' A' ' 53' ' ' LEU . . . -161.27 92.32 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.06 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.526 HG13 ' HB2' ' A' ' 6' ' ' LEU . 0.7 OUTLIER -87.14 131.74 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -141.1 130.98 4.69 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.522 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.445 ' O ' ' ND1' ' A' ' 43' ' ' HIS . 16.3 p80 -79.61 132.89 36.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.771 0.319 . . . . 0.0 110.868 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.726 HD11 HD23 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -69.45 107.66 3.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.915 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.752 HG23 ' O ' ' A' ' 2' ' ' TYR . 73.6 p -41.0 -29.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.15 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -54.59 -69.81 0.12 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 31.1 p -108.31 -31.39 7.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 44' ' ' LEU . 22.7 m 66.24 83.23 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.837 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.682 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 27.1 m170 -118.79 -27.49 5.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.682 ' HB3' ' O ' ' A' ' 49' ' ' HIS . . . 84.84 138.64 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.101 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.818 ' HB2' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -170.7 -157.14 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.909 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.59 ' CE1' ' HB2' ' A' ' 14' ' ' CYS . 30.8 m170 -111.33 97.54 6.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.861 HD12 ' O ' ' A' ' 40' ' ' ALA . 37.7 mt -35.87 -33.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.913 ' O ' HD12 ' A' ' 54' ' ' LEU . 0.5 OUTLIER -69.2 -48.67 61.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.976 179.805 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.726 ' C ' HD12 ' A' ' 16' ' ' ILE . 26.5 m -69.05 -38.72 79.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.992 HD23 HD11 ' A' ' 16' ' ' ILE . 29.5 mt -61.15 -38.01 84.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 1.017 HD22 HD11 ' A' ' 36' ' ' LEU . 26.9 tp -58.22 -31.29 67.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.953 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.79 -54.94 5.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.9 tmm? -57.51 -40.2 78.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.951 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.657 ' C ' ' CD1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -47.55 -19.9 0.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.977 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.9 p -57.97 -11.95 2.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -97.48 -63.65 1.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 64' ' ' ASN . . . -115.77 -165.41 14.43 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.488 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.551 ' ND2' ' O ' ' A' ' 76' ' ' THR . 0.7 OUTLIER 34.34 46.45 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.889 0.376 . . . . 0.0 110.87 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.568 ' HA ' ' CE2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -84.96 80.91 9.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.84 -45.63 1.88 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 150.24 43.92 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.485 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.695 ' C ' HD13 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -154.97 -74.19 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.905 0.384 . . . . 0.0 110.869 -179.723 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.726 HD23 HD11 ' A' ' 44' ' ' LEU . 0.0 OUTLIER 176.47 -173.64 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.934 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.449 ' OE1' ' C ' ' A' ' 76' ' ' THR . 4.1 tp60 -132.49 157.95 43.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.473 ' O ' ' N ' ' A' ' 75' ' ' LYS . 39.1 t -91.89 106.53 17.66 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.585 0.707 . . . . 0.0 110.887 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.85 ' HD3' HD22 ' A' ' 56' ' ' LEU . 52.9 Cg_endo -69.83 -8.34 23.35 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.651 2.234 . . . . 0.0 112.32 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.42 ' HB3' ' ND1' ' A' ' 49' ' ' HIS . 28.3 t -81.62 -48.39 11.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 20.5 p -136.92 28.65 2.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 71' ' ' CYS . 14.7 mmtt 48.9 18.5 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.551 ' O ' ' ND2' ' A' ' 64' ' ' ASN . 0.7 OUTLIER . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ASN . . . . . 1.028 ' H3 ' HD13 ' A' ' 53' ' ' LEU . 35.5 t-20 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.849 0.357 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.643 ' CE2' ' CG ' ' A' ' 1' ' ' ASN . 0.2 OUTLIER -110.29 2.9 19.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.899 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.766 HG22 HD12 ' A' ' 44' ' ' LEU . 1.7 p -119.64 140.93 49.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.147 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.566 ' HB3' ' CE1' ' A' ' 43' ' ' HIS . 6.7 tt0 -34.05 93.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.953 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 3' ' ' THR . 3.0 tt0 -58.25 143.3 44.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.811 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 8' ' ' VAL . 14.3 mt -94.7 111.63 23.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.934 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 6' ' ' LEU . 18.5 tttt -36.91 -28.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.605 HG12 ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -145.04 165.88 20.33 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.641 0.734 . . . . 0.0 111.127 179.875 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.605 ' HD2' HG12 ' A' ' 8' ' ' VAL . 54.0 Cg_endo -69.73 132.9 24.36 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.725 2.283 . . . . 0.0 112.339 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.735 ' HG2' HD13 ' A' ' 21' ' ' LEU . 54.4 Cg_endo -69.7 -163.98 0.12 Allowed 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.7 2.266 . . . . 0.0 112.354 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -132.31 46.74 2.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.809 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.522 ' O ' ' CB ' ' A' ' 13' ' ' ASP . 1.5 mp0 -120.78 -97.82 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.522 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 2.5 m-20 159.51 149.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.849 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.468 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 42.7 t -66.54 148.81 51.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.427 HD11 ' HD1' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -97.48 -22.84 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.07 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.531 HD11 ' CD2' ' A' ' 56' ' ' LEU . 1.1 mm -76.8 -70.78 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.081 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 25.4 p -79.53 -8.59 59.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.66 14.51 6.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.875 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -88.43 -178.36 5.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.825 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.553 ' HB2' HG23 ' A' ' 23' ' ' THR . 0.6 OUTLIER -71.55 133.05 45.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.88 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.735 HD13 ' HG2' ' A' ' 10' ' ' PRO . 6.4 mt -63.91 -8.08 10.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.2 t -102.37 -24.45 13.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.629 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 40.2 p -77.87 7.6 5.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.142 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.899 ' HB2' HD23 ' A' ' 39' ' ' LEU . . . 80.5 -176.89 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.11 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.414 ' HA ' ' ND1' ' A' ' 52' ' ' HIS . 18.9 p -81.3 115.36 20.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.11 -20.0 25.99 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.509 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.491 ' HB2' ' CD1' ' A' ' 54' ' ' LEU . 4.4 m-30 -73.64 -16.48 61.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.827 0.346 . . . . 0.0 110.91 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 77.6 p -50.18 -24.25 2.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.814 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.26 -27.23 30.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.607 HG12 ' N ' ' A' ' 31' ' ' THR . 22.6 t -103.68 -80.98 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.083 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.7 HG21 ' HB2' ' A' ' 58' ' ' ALA . 72.5 p -44.84 102.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -77.38 54.75 1.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.8 127.39 40.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.99 30.84 6.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -115.65 -33.62 5.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.082 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.762 HD11 ' HG ' ' A' ' 57' ' ' LEU . 2.5 mp -85.28 -67.8 0.78 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 146.98 -36.76 1.2 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.435 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.435 ' HA ' ' CB ' ' A' ' 54' ' ' LEU . 2.5 p 67.07 14.6 9.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.881 0.372 . . . . 0.0 110.85 -179.713 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.899 HD23 ' HB2' ' A' ' 24' ' ' ALA . 2.9 mt -149.9 52.9 0.92 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.405 ' HB3' HD12 ' A' ' 53' ' ' LEU . . . -150.92 155.83 39.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.127 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.646 HG11 ' HG3' ' A' ' 10' ' ' PRO . 21.6 t -124.21 131.07 73.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.192 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.41 ' C ' ' OG1' ' A' ' 3' ' ' THR . . . -154.34 139.04 6.5 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.462 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.602 ' CD2' ' O ' ' A' ' 43' ' ' HIS . 16.3 p-80 -95.42 115.94 28.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.867 0.365 . . . . 0.0 110.891 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.806 HD23 HG22 ' A' ' 76' ' ' THR . 9.0 tp -38.02 132.62 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.96 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.401 HG23 ' H ' ' A' ' 45' ' ' THR . 0.1 OUTLIER -75.44 2.58 11.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.76 -46.35 7.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.416 ' HB2' ' NE2' ' A' ' 49' ' ' HIS . 9.3 p -115.58 -16.82 11.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.408 ' OG ' ' C ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER 59.16 72.94 0.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.758 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.717 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 21.6 m170 -117.29 -101.11 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.717 ' HB2' ' O ' ' A' ' 49' ' ' HIS . . . 158.79 130.88 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.929 ' CD2' HD11 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -177.29 169.88 2.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.796 -179.928 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.485 ' CE1' ' O ' ' A' ' 24' ' ' ALA . 31.6 m170 -74.7 101.56 4.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.836 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 1.028 HD13 ' H3 ' ' A' ' 1' ' ' ASN . 5.8 mt -36.11 -48.68 0.62 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.73 HD13 ' N ' ' A' ' 55' ' ' CYS . 2.2 tm? -56.87 -70.06 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.73 ' N ' HD13 ' A' ' 54' ' ' LEU . 57.7 m -35.69 -46.26 0.42 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.929 HD11 ' CD2' ' A' ' 51' ' ' PHE . 6.8 mt -60.42 -56.41 21.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.762 ' HG ' HD11 ' A' ' 36' ' ' LEU . 2.8 tm? -46.04 -20.62 0.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.7 ' HB2' HG21 ' A' ' 31' ' ' THR . . . -75.14 -66.45 0.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.061 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.8 ptm -75.27 -8.46 56.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.94 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.561 ' CD2' ' HA ' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -57.31 -25.36 59.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.97 -179.899 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -9.21 3.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.921 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -88.2 -54.36 4.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -134.25 -171.03 12.44 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.478 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 76' ' ' THR . 7.1 t-20 69.88 -69.28 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.851 0.358 . . . . 0.0 110.89 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.469 ' HA ' ' CE2' ' A' ' 60' ' ' TYR . 9.4 mmmt 34.34 87.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -160.95 57.41 0.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.508 ' O ' ' CD1' ' A' ' 2' ' ' TYR . . . 44.67 51.21 8.15 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.506 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.584 ' HA ' ' CE2' ' A' ' 2' ' ' TYR . 58.3 m -168.26 -98.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.924 0.392 . . . . 0.0 110.832 -179.739 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.607 HD21 HD13 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -172.33 -174.01 1.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.606 ' O ' HD13 ' A' ' 56' ' ' LEU . 4.1 tp-100 -115.28 157.75 23.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.496 ' SG ' ' CE1' ' A' ' 51' ' ' PHE . 43.4 t -98.18 111.7 60.18 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.644 0.735 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.818 ' HD3' HD22 ' A' ' 56' ' ' LEU . 53.0 Cg_endo -69.86 3.92 2.54 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.612 2.208 . . . . 0.0 112.341 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.565 ' HG ' ' CE1' ' A' ' 49' ' ' HIS . 0.0 OUTLIER -100.69 -72.22 0.68 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 -179.857 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 76' ' ' THR . 20.2 p -111.28 30.19 7.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 74' ' ' CYS . 0.1 OUTLIER 33.65 34.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.927 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.806 HG22 HD23 ' A' ' 44' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.183 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.513 HG22 HD23 ' A' ' 44' ' ' LEU . 1.1 p . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.717 0.294 . . . . 0.0 111.158 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.568 ' HB3' ' CE1' ' A' ' 43' ' ' HIS . 36.7 tt0 -38.21 92.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.62 ' O ' HD23 ' A' ' 6' ' ' LEU . 15.0 tt0 -52.63 160.61 0.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.629 HD21 ' HD2' ' A' ' 43' ' ' HIS . 18.0 mt -124.69 112.71 17.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.949 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 6' ' ' LEU . 2.9 tptt -37.33 -28.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.955 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.495 ' N ' ' O ' ' A' ' 6' ' ' LEU . 2.7 m -143.96 146.93 36.15 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.641 0.734 . . . . 0.0 111.13 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.708 ' HB3' HG21 ' A' ' 41' ' ' VAL . 54.3 Cg_endo -69.81 130.49 19.37 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.698 2.265 . . . . 0.0 112.325 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.763 ' HD2' HG11 ' A' ' 41' ' ' VAL . 53.6 Cg_endo -69.75 -163.84 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.701 2.268 . . . . 0.0 112.307 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -114.15 22.96 13.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -83.91 -21.5 31.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 64.29 136.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.591 ' C ' HD13 ' A' ' 15' ' ' ILE . 13.5 t -49.88 166.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.668 HG21 ' HA ' ' A' ' 73' ' ' SER . 0.0 OUTLIER -123.9 -14.52 5.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.13 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.562 HG22 ' CE2' ' A' ' 27' ' ' TYR . 0.7 OUTLIER -81.29 -66.23 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.046 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.0 p -85.85 -4.81 59.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.964 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.4 mtp 58.65 45.26 16.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -125.17 161.43 26.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.6 mttp -52.96 132.12 36.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.523 HD21 ' HA ' ' A' ' 51' ' ' PHE . 6.4 mt -65.18 -5.49 6.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -87.8 -44.36 11.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.404 ' O ' ' HB2' ' A' ' 24' ' ' ALA . 0.6 OUTLIER -55.11 -93.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.143 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.404 ' HB2' ' O ' ' A' ' 23' ' ' THR . . . 178.91 -176.78 0.25 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 t -66.42 132.1 47.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -79.12 -26.82 57.2 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.533 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.592 ' HB3' HG23 ' A' ' 31' ' ' THR . 13.1 m-30 -84.53 -3.35 58.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.848 0.356 . . . . 0.0 110.916 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.21 -25.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.91 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 27' ' ' TYR . 4.0 m-20 -63.07 -59.02 5.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.819 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -127.96 91.17 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.592 HG23 ' HB3' ' A' ' 27' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.199 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.732 HD13 ' HB3' ' A' ' 53' ' ' LEU . 2.2 mt . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.836 0.35 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.536 ' O ' HD22 ' A' ' 54' ' ' LEU . . . 39.99 -99.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.544 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.0 p 177.31 48.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.926 0.393 . . . . 0.0 110.853 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.4 tp -177.69 49.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.922 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -133.45 112.15 11.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.082 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.763 HG11 ' HD2' ' A' ' 10' ' ' PRO . 13.0 t -96.03 119.19 43.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.101 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -140.68 136.84 7.86 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.629 ' HD2' HD21 ' A' ' 6' ' ' LEU . 30.4 p80 -92.64 108.84 20.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.78 0.324 . . . . 0.0 110.823 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.59 HD13 ' HB2' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -37.95 125.57 1.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.7 p -58.25 -30.07 66.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.59 ' HB2' HD13 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -52.39 -68.1 0.2 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.869 179.859 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.621 ' SG ' HG21 ' A' ' 76' ' ' THR . 10.2 p -96.9 -38.18 9.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 0.3 OUTLIER 82.75 71.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.808 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.701 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 30.7 m170 -117.86 -99.98 0.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.86 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.701 ' HB2' ' O ' ' A' ' 49' ' ' HIS . . . 158.99 133.0 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.19 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 1.008 ' CD2' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -176.58 148.62 0.73 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.91 -179.86 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.661 ' O ' HD12 ' A' ' 56' ' ' LEU . 33.2 m170 -48.55 99.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.83 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.732 ' HB3' HD13 ' A' ' 36' ' ' LEU . 14.4 mt -35.85 -61.42 0.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.853 ' O ' HD12 ' A' ' 54' ' ' LEU . 0.3 OUTLIER -42.22 -58.4 2.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.553 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 66.6 m -43.25 -60.8 1.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 1.008 HD21 ' CD2' ' A' ' 51' ' ' PHE . 5.4 mp -45.46 -58.36 3.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.647 HD12 ' CD1' ' A' ' 60' ' ' TYR . 7.6 tp -41.02 -24.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.553 ' HB3' ' O ' ' A' ' 55' ' ' CYS . . . -70.38 -66.74 0.56 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.067 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.473 ' CE ' ' HG2' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -76.76 -7.87 56.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.647 ' CD1' HD12 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -62.86 -19.51 64.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.885 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.01 -9.19 36.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.844 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.413 ' O ' ' NZ ' ' A' ' 65' ' ' LYS . 1.1 t-20 -91.53 -55.58 3.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.959 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 64' ' ' ASN . . . -119.44 -167.74 13.76 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.433 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.481 ' ND2' ' HA ' ' A' ' 70' ' ' GLN . 5.4 m-20 35.81 53.95 0.89 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.935 0.398 . . . . 0.0 110.855 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.413 ' NZ ' ' O ' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -88.98 104.45 16.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 179.887 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -157.01 -47.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 162.37 32.45 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.496 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.587 ' C ' HD13 ' A' ' 69' ' ' LEU . 21.2 p -152.5 -95.55 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.869 0.366 . . . . 0.0 110.877 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.643 ' HA ' ' CD2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER 177.32 174.83 0.44 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.695 ' O ' HD23 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -110.81 157.59 19.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.968 179.93 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.537 ' SG ' ' CZ ' ' A' ' 51' ' ' PHE . 5.5 t -85.2 114.86 58.54 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.54 0.686 . . . . 0.0 110.91 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.471 ' HG2' ' CG1' ' A' ' 15' ' ' ILE . 54.1 Cg_endo -69.77 -26.84 27.11 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.654 2.236 . . . . 0.0 112.385 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.668 ' HA ' HG21 ' A' ' 15' ' ' ILE . 9.4 t -57.95 -71.79 0.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 21.1 p -107.83 31.35 5.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.95 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.5 mmtm 48.48 33.11 3.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.621 HG21 ' SG ' ' A' ' 47' ' ' CYS . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.43 ' HB ' ' C ' ' A' ' 43' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.675 0.274 . . . . 0.0 111.146 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 5' ' ' GLU . 4.8 tt0 -84.83 107.59 17.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 4' ' ' GLU . 8.8 tt0 -35.06 133.47 0.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.514 HD23 ' N ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -85.89 103.03 14.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.947 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -37.31 -28.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.837 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.495 ' N ' ' O ' ' A' ' 6' ' ' LEU . 0.9 OUTLIER -136.01 144.09 46.88 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.662 0.744 . . . . 0.0 111.104 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 138.83 38.48 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.656 2.238 . . . . 0.0 112.325 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 11' ' ' ASP . 53.3 Cg_endo -69.69 -34.36 14.97 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.748 2.299 . . . . 0.0 112.331 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 10' ' ' PRO . 1.1 t0 83.0 10.62 0.55 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.487 ' O ' ' CB ' ' A' ' 13' ' ' ASP . 1.7 mm-40 -67.89 -93.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 1.1 t0 161.21 115.89 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.489 ' N ' ' O ' ' A' ' 19' ' ' GLU . 37.3 t -39.44 144.3 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -100.06 -13.97 8.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.14 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.661 HD11 HD23 ' A' ' 56' ' ' LEU . 74.5 mt -84.71 -71.89 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.074 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.46 ' SG ' ' CB ' ' A' ' 19' ' ' GLU . 20.8 p -79.76 3.61 18.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 56.19 25.7 9.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 14' ' ' CYS . 12.3 tp10 -105.43 161.7 14.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.44 ' HB2' HG22 ' A' ' 23' ' ' THR . 5.4 mmtt -58.82 143.9 45.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.861 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.639 HD21 ' HA ' ' A' ' 51' ' ' PHE . 10.7 mt -79.82 12.34 2.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -102.02 -47.48 4.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.861 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.548 HG23 ' H ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -58.32 -90.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.141 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.548 ' H ' HG23 ' A' ' 23' ' ' THR . . . -178.49 165.31 1.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.477 ' CB ' ' HB3' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -54.81 112.06 0.96 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.727 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.52 -21.36 57.47 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.498 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.564 ' CE2' HG22 ' A' ' 16' ' ' ILE . 3.3 m-85 -72.49 -22.14 61.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.834 0.35 . . . . 0.0 110.896 -179.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.0 p -38.31 -28.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -45.05 -64.06 0.79 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 179.909 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.4 m -108.71 -6.12 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.216 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 1.08 HG21 ' HB2' ' A' ' 58' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.173 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.564 HD11 ' HB2' ' A' ' 57' ' ' LEU . 72.2 mt . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.831 0.348 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 39' ' ' LEU . . . 101.65 100.84 2.49 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.512 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.511 ' HB3' HD23 ' A' ' 54' ' ' LEU . 4.8 p -40.11 94.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.923 0.392 . . . . 0.0 110.82 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.497 ' CB ' ' O ' ' A' ' 38' ' ' SER . 0.4 OUTLIER 161.31 -21.72 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.956 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.701 ' CB ' HD12 ' A' ' 53' ' ' LEU . . . -82.46 101.23 10.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.07 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.2 t -79.6 116.87 24.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -129.56 141.74 12.91 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.422 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.48 ' CD2' ' HA ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -120.63 127.34 51.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.819 0.342 . . . . 0.0 110.894 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.4 mt -62.54 122.39 15.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 16.1 p -80.51 9.23 6.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.148 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.19 -36.54 14.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.595 ' SG ' ' CD2' ' A' ' 49' ' ' HIS . 7.6 p -124.52 -16.23 6.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.885 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 2.1 t 83.42 39.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.595 ' CD2' ' SG ' ' A' ' 47' ' ' CYS . 7.9 m170 -109.51 149.42 29.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.825 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.603 ' C ' ' CG ' ' A' ' 51' ' ' PHE . . . -122.55 163.25 20.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.045 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.991 ' CD1' HD11 ' A' ' 56' ' ' LEU . 0.0 OUTLIER 169.88 173.84 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.856 -179.886 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.508 ' CD2' HD23 ' A' ' 21' ' ' LEU . 30.1 m170 -66.8 111.43 3.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.701 HD12 ' CB ' ' A' ' 40' ' ' ALA . 15.2 mt -43.37 -60.7 1.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.632 HD21 ' O ' ' A' ' 31' ' ' THR . 0.9 OUTLIER -46.32 -65.23 0.58 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.967 179.899 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.491 ' HB3' ' CD1' ' A' ' 16' ' ' ILE . 69.7 m -39.55 -50.77 2.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.991 HD11 ' CD1' ' A' ' 51' ' ' PHE . 7.7 mt -60.21 -58.57 7.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.004 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.564 ' HB2' HD11 ' A' ' 36' ' ' LEU . 9.2 tp -40.26 -39.95 1.04 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.908 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 1.08 ' HB2' HG21 ' A' ' 31' ' ' THR . . . -66.77 -66.23 0.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.076 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.482 ' SD ' HD11 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -64.13 -8.85 13.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.611 ' C ' ' CD2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -67.49 -17.08 64.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 -179.882 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 46.9 t -62.61 -9.37 8.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.966 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -97.02 -57.69 2.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 64' ' ' ASN . . . -118.88 179.65 16.81 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.452 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 63' ' ' GLY . 5.9 t-20 34.43 45.87 0.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.882 0.372 . . . . 0.0 110.904 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.473 ' HA ' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -78.76 68.42 4.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.931 179.872 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -115.13 31.25 6.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.84 56.08 20.92 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.492 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.587 ' CB ' HD13 ' A' ' 69' ' ' LEU . 16.1 m -164.26 -73.14 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.857 0.36 . . . . 0.0 110.838 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.708 ' N ' HD13 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -179.89 -178.3 0.43 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.542 ' O ' HD22 ' A' ' 56' ' ' LEU . 30.2 tt0 -137.56 154.19 49.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.468 ' N ' ' HG2' ' A' ' 70' ' ' GLN . 36.6 t -100.04 100.16 10.89 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.606 0.717 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.409 ' HG3' ' CG1' ' A' ' 16' ' ' ILE . 53.9 Cg_endo -69.75 0.37 5.74 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.657 2.238 . . . . 0.0 112.302 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.58 ' HG ' ' CE1' ' A' ' 49' ' ' HIS . 0.1 OUTLIER -85.05 -63.14 1.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.869 -179.843 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.3 p -118.77 18.73 13.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.854 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 44.45 50.81 8.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.945 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.476 ' HB ' ' N ' ' A' ' 43' ' ' HIS . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.734 0.302 . . . . 0.0 111.129 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.414 ' O ' HD23 ' A' ' 6' ' ' LEU . 70.6 tt0 -102.6 115.08 29.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -39.26 145.39 0.11 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.945 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.414 HD23 ' O ' ' A' ' 4' ' ' GLU . 16.4 mt -112.53 139.71 47.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.54 ' O ' HG13 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -59.63 -16.21 24.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 179.844 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.54 HG13 ' O ' ' A' ' 7' ' ' LYS . 0.3 OUTLIER -160.08 153.96 19.47 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.615 0.721 . . . . 0.0 111.114 179.876 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 127.99 15.44 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.752 2.301 . . . . 0.0 112.3 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.803 ' HD2' HG11 ' A' ' 41' ' ' VAL . 53.0 Cg_endo -69.84 -163.83 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.708 2.272 . . . . 0.0 112.321 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.25 50.23 1.33 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -111.87 -26.95 8.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 65.39 128.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.814 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.465 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 47.0 t -40.6 157.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -117.32 -20.54 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.135 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.882 HD11 HD23 ' A' ' 56' ' ' LEU . 0.6 OUTLIER -74.02 -69.97 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.844 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 28.3 p -81.12 2.12 28.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 2.3 mtp 52.36 50.84 17.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.905 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -128.99 -178.38 4.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.3 mttt -70.77 139.99 51.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.647 HD21 ' HA ' ' A' ' 51' ' ' PHE . 7.5 mt -70.58 -0.02 7.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.986 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 p -113.52 -11.76 13.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.554 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 0.8 OUTLIER -86.67 10.64 15.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.083 -179.904 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 23' ' ' THR . . . 75.27 170.78 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.459 ' CB ' ' HB3' ' A' ' 54' ' ' LEU . 0.3 OUTLIER -73.44 124.31 25.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.844 -179.815 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -70.87 -15.05 73.62 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.513 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -77.86 -24.77 48.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.941 0.4 . . . . 0.0 110.909 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.8 t -43.09 -28.1 0.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.65 -45.16 9.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.857 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.523 HG22 ' O ' ' A' ' 30' ' ' VAL . 11.1 p -134.27 2.49 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.127 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.975 HG21 ' HB2' ' A' ' 58' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.198 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.767 HD11 HD13 ' A' ' 57' ' ' LEU . 56.2 mt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.798 0.332 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.24 3.75 13.67 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.492 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 49.61 26.36 1.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.892 0.377 . . . . 0.0 110.876 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.405 ' O ' ' CG ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -127.97 33.24 4.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -141.38 150.43 42.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.046 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.803 HG11 ' HD2' ' A' ' 10' ' ' PRO . 0.5 OUTLIER -116.3 122.11 69.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.409 ' C ' ' HB ' ' A' ' 3' ' ' THR . . . -134.1 135.51 8.04 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.503 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.476 ' N ' ' HB ' ' A' ' 3' ' ' THR . 2.6 p80 -111.86 123.1 49.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.812 0.339 . . . . 0.0 110.771 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.01 129.28 37.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.5 p -84.3 24.03 1.01 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -108.03 -40.33 5.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.546 ' SG ' ' CD2' ' A' ' 49' ' ' HIS . 7.5 p -124.44 -16.49 6.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.874 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 1.3 t 83.13 31.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.546 ' CD2' ' SG ' ' A' ' 47' ' ' CYS . 8.9 m170 -100.34 124.9 46.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.601 ' C ' ' CG ' ' A' ' 51' ' ' PHE . . . -100.6 163.62 12.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.948 ' CD1' HD11 ' A' ' 56' ' ' LEU . 0.0 OUTLIER 171.11 -179.18 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.524 ' CE1' ' O ' ' A' ' 24' ' ' ALA . 32.8 m170 -73.76 105.8 5.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.579 ' HB3' HD13 ' A' ' 36' ' ' LEU . 22.6 mt -39.24 -51.15 1.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.548 ' C ' ' CD1' ' A' ' 54' ' ' LEU . 0.1 OUTLIER -56.11 -70.0 0.13 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.572 ' C ' HD12 ' A' ' 16' ' ' ILE . 61.3 m -35.69 -44.41 0.33 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.948 HD11 ' CD1' ' A' ' 51' ' ' PHE . 7.3 mt -67.84 -56.78 7.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.767 HD13 HD11 ' A' ' 36' ' ' LEU . 0.3 OUTLIER -45.97 -25.36 0.54 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.953 179.854 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.975 ' HB2' HG21 ' A' ' 31' ' ' THR . . . -68.73 -65.7 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.102 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.464 ' CE ' ' HB3' ' A' ' 70' ' ' GLN . 0.3 OUTLIER -72.66 -13.69 61.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.832 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.585 ' C ' ' CD2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -55.52 -17.07 4.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.997 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.433 ' N ' ' CD2' ' A' ' 60' ' ' TYR . 42.3 t -61.46 -9.29 5.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -95.57 -56.49 2.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 64' ' ' ASN . . . -123.07 176.43 16.61 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.421 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.452 ' C ' ' O ' ' A' ' 63' ' ' GLY . 2.9 t-20 34.43 51.25 0.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.853 0.359 . . . . 0.0 110.888 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.55 ' HA ' ' CE1' ' A' ' 60' ' ' TYR . 1.7 ttpm? -102.2 70.26 1.18 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.959 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.01 -28.03 7.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.871 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 154.43 56.52 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.462 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.776 ' OG ' HD13 ' A' ' 69' ' ' LEU . 1.6 t -176.12 -91.71 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.902 0.382 . . . . 0.0 110.864 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.776 HD13 ' OG ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -169.42 -173.65 1.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.464 ' HB3' ' CE ' ' A' ' 59' ' ' MET . 64.3 tt0 -124.89 157.53 35.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.958 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.428 ' HA ' ' HD2' ' A' ' 72' ' ' PRO . 16.9 t -104.25 104.17 42.72 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.595 0.712 . . . . 0.0 110.834 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 71' ' ' CYS . 54.4 Cg_endo -69.73 -12.27 32.62 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.732 2.288 . . . . 0.0 112.389 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.432 ' HB3' ' ND1' ' A' ' 49' ' ' HIS . 0.3 OUTLIER -70.49 -56.89 5.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.845 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.5 p -126.78 30.5 5.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.3 mptt 43.44 47.98 6.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.161 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.423 ' HB ' ' C ' ' A' ' 43' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.771 0.32 . . . . 0.0 111.098 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 5' ' ' GLU . 4.9 tt0 -140.0 119.99 13.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 4' ' ' GLU . 6.7 tt0 -35.35 144.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.867 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.41 ' C ' ' N ' ' A' ' 8' ' ' VAL . 10.0 mt -105.22 111.11 23.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.5 mmtm -44.63 -22.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.41 ' N ' ' C ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -142.02 160.37 55.68 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.662 0.744 . . . . 0.0 111.099 179.904 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.89 127.98 15.26 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.658 2.239 . . . . 0.0 112.301 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.674 ' CD ' HG11 ' A' ' 41' ' ' VAL . 53.7 Cg_endo -69.79 -34.68 14.0 Favored 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 122.713 2.275 . . . . 0.0 112.375 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 10' ' ' PRO . 2.2 t0 82.94 18.19 0.27 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.497 ' O ' ' CB ' ' A' ' 13' ' ' ASP . 0.3 OUTLIER -77.37 -29.21 53.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.918 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 3.8 t70 82.95 120.34 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.457 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 27.1 t -45.66 162.23 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.82 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -120.5 -16.75 6.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.157 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.577 ' CG2' ' CE1' ' A' ' 27' ' ' TYR . 78.7 mt -80.7 -70.7 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.8 p -82.33 6.39 17.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 19.1 mmm 47.4 63.19 2.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -138.33 176.67 8.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.832 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.7 mtmp? -72.73 133.23 44.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.631 HD21 ' HA ' ' A' ' 51' ' ' PHE . 9.6 mt -67.96 -8.38 36.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.0 t -91.79 -32.79 15.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.788 HG22 ' N ' ' A' ' 24' ' ' ALA . 4.3 m -65.37 -90.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.119 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.788 ' N ' HG22 ' A' ' 23' ' ' THR . . . 175.32 155.61 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.124 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.6 t -45.79 144.67 1.64 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -92.66 -14.54 55.16 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.421 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.577 ' CE1' ' CG2' ' A' ' 16' ' ' ILE . 11.8 m-30 -92.47 0.46 57.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.913 0.387 . . . . 0.0 110.921 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.5 t -52.47 -19.86 2.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.884 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -55.96 -45.35 78.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.851 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.3 t -108.62 -61.94 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.131 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.542 ' HB ' HD11 ' A' ' 54' ' ' LEU . 50.1 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.129 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.584 HD11 ' HB2' ' A' ' 57' ' ' LEU . 2.6 mt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.728 0.299 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 110.14 139.98 8.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.8 m -76.02 49.12 0.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.886 0.374 . . . . 0.0 110.857 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -179.56 40.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -132.51 124.42 28.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.674 HG11 ' CD ' ' A' ' 10' ' ' PRO . 1.5 t -97.51 134.3 36.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -135.2 133.34 6.67 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.483 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.543 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -107.26 117.54 34.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.803 0.335 . . . . 0.0 110.824 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.818 HD23 ' HB3' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -59.64 115.77 3.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 20.2 p -75.28 2.85 10.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.818 ' HB3' HD23 ' A' ' 44' ' ' LEU . 2.0 tppt? -86.76 -42.73 13.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.947 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.592 ' SG ' ' CD2' ' A' ' 49' ' ' HIS . 7.2 p -124.35 -16.59 6.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 1.7 t 83.26 42.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.834 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.592 ' CD2' ' SG ' ' A' ' 47' ' ' CYS . 8.4 m170 -112.72 125.42 54.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.868 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.574 ' C ' ' CG ' ' A' ' 51' ' ' PHE . . . -96.25 162.48 13.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.98 ' CD1' HD11 ' A' ' 56' ' ' LEU . 0.0 OUTLIER 170.49 169.6 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.862 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.457 ' CE1' ' HB2' ' A' ' 14' ' ' CYS . 27.5 m170 -64.96 104.22 0.83 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.773 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.561 ' HA ' HD12 ' A' ' 56' ' ' LEU . 19.3 mt -38.9 -52.68 1.76 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.565 ' C ' HD12 ' A' ' 54' ' ' LEU . 1.0 OUTLIER -51.47 -69.75 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.907 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.4 ' CB ' HD12 ' A' ' 16' ' ' ILE . 76.4 m -38.11 -45.51 0.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.98 HD11 ' CD1' ' A' ' 51' ' ' PHE . 12.8 mt -63.85 -47.87 79.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.584 ' HB2' HD11 ' A' ' 36' ' ' LEU . 17.2 tp -43.63 -33.07 1.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.37 -66.34 0.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.465 ' SD ' ' N ' ' A' ' 60' ' ' TYR . 3.0 ppp? -56.86 -16.66 7.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.578 ' CE1' ' HA ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -66.56 -14.87 62.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 -179.879 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.3 m -63.23 -10.02 13.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -97.36 -56.85 2.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.965 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.464 ' HA3' ' NE2' ' A' ' 70' ' ' GLN . . . -117.88 -174.47 16.6 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.528 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 76' ' ' THR . 9.2 m-20 34.27 45.88 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.901 0.382 . . . . 0.0 110.941 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.578 ' HA ' ' CE1' ' A' ' 60' ' ' TYR . 2.6 ttpp -87.28 77.69 8.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.844 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -121.39 -42.0 2.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.835 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 156.84 39.48 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.46 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.804 ' HB3' HD13 ' A' ' 69' ' ' LEU . 58.6 m -155.62 -94.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.874 0.369 . . . . 0.0 110.824 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.804 HD13 ' HB3' ' A' ' 68' ' ' SER . 0.0 OUTLIER -159.45 -173.42 4.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.488 ' N ' ' HB2' ' A' ' 60' ' ' TYR . 50.4 tt0 -134.64 157.7 45.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.948 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.467 ' N ' ' HG2' ' A' ' 70' ' ' GLN . 7.6 t -98.9 101.36 11.96 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.605 0.717 . . . . 0.0 110.935 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.436 ' HB3' ' HE3' ' A' ' 59' ' ' MET . 53.3 Cg_endo -69.79 -6.79 19.45 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.667 2.244 . . . . 0.0 112.352 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.79 -68.4 0.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.6 p -111.54 10.85 21.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? 60.02 51.67 5.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.957 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.458 ' O ' ' ND2' ' A' ' 64' ' ' ASN . 1.4 m . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.114 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.885 HG22 ' HA ' ' A' ' 44' ' ' LEU . 50.4 p . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 120.753 0.311 . . . . 0.0 111.111 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -133.26 121.1 21.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -47.22 146.52 1.85 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.579 ' HB2' HG13 ' A' ' 41' ' ' VAL . 0.7 OUTLIER -99.52 123.88 44.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.958 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.688 ' O ' HG13 ' A' ' 8' ' ' VAL . 1.8 tttp -57.24 -18.75 17.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.966 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.688 HG13 ' O ' ' A' ' 7' ' ' LYS . 3.1 m -163.82 147.32 8.1 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.607 0.718 . . . . 0.0 111.175 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.88 110.34 2.56 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.66 2.24 . . . . 0.0 112.33 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -165.39 0.15 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.641 2.227 . . . . 0.0 112.364 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -101.87 40.82 1.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -100.38 -34.96 9.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.813 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.47 ' CA ' ' HG ' ' A' ' 21' ' ' LEU . 55.0 m-20 61.58 132.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.795 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.576 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 53.4 t -39.01 159.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -117.86 -25.03 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.076 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 1.017 HD11 HD23 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -74.74 -66.84 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 18' ' ' MET . 14.5 p -86.57 16.74 4.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.43 ' C ' ' O ' ' A' ' 17' ' ' CYS . 6.7 mtt 35.1 69.06 0.18 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -140.99 -177.39 5.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.9 mtpt -75.18 138.02 41.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.923 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.47 ' HG ' ' CA ' ' A' ' 13' ' ' ASP . 7.0 mt -69.82 -2.79 13.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.3 t -109.94 -10.27 14.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 55.0 p -96.24 34.33 1.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.125 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.413 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . 49.92 178.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.415 ' HA ' ' ND1' ' A' ' 52' ' ' HIS . 0.1 OUTLIER -69.72 145.42 52.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.799 -179.754 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -87.17 -30.92 18.52 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.51 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.436 ' O ' ' N ' ' A' ' 29' ' ' ASP . 11.9 m-30 -73.12 -18.17 61.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.927 0.394 . . . . 0.0 110.925 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.635 ' HA ' HD21 ' A' ' 54' ' ' LEU . 3.1 t -40.09 -27.31 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.853 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 27' ' ' TYR . 0.4 OUTLIER -54.15 -45.98 72.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.437 ' O ' ' C ' ' A' ' 31' ' ' THR . 0.2 OUTLIER -110.46 -62.66 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.172 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.516 ' HB ' HD11 ' A' ' 54' ' ' LEU . 1.3 p . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.178 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.874 HD11 HD23 ' A' ' 57' ' ' LEU . 3.7 mt . . . . . 0 C--O 1.229 0.023 0 CA-C-O 120.953 0.406 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.82 -0.94 5.14 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.507 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.624 ' HB3' HD23 ' A' ' 54' ' ' LEU . 0.4 OUTLIER 68.75 9.12 7.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.943 0.401 . . . . 0.0 110.853 -179.775 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -134.09 27.35 3.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.47 ' O ' HD12 ' A' ' 53' ' ' LEU . . . -132.45 109.49 9.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.066 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.579 HG13 ' HB2' ' A' ' 6' ' ' LEU . 0.9 OUTLIER -96.82 128.0 48.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -139.06 153.93 23.06 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.478 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.415 ' CD2' ' OG ' ' A' ' 48' ' ' SER . 7.2 p-80 -104.34 153.93 20.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.808 0.337 . . . . 0.0 110.852 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.885 ' HA ' HG22 ' A' ' 3' ' ' THR . 0.1 OUTLIER -82.46 118.04 22.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.981 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 59.8 p -53.85 -14.74 1.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.14 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.505 ' CB ' HG23 ' A' ' 76' ' ' THR . 3.3 mmmt -71.76 -28.05 63.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 48' ' ' SER . 26.1 p -143.42 -44.34 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 0.3 OUTLIER 83.02 74.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.834 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.589 ' HB2' ' CE1' ' A' ' 51' ' ' PHE . 27.1 m170 -116.73 -24.76 7.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.847 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.6 ' C ' ' CG ' ' A' ' 51' ' ' PHE . . . 73.98 137.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.105 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.804 ' HB2' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -172.95 159.13 3.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.93 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.576 ' CE1' ' HB2' ' A' ' 14' ' ' CYS . 42.1 m170 -60.07 98.79 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.697 ' HA ' HD12 ' A' ' 56' ' ' LEU . 28.8 mt -36.16 -43.97 0.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.784 ' C ' HD12 ' A' ' 54' ' ' LEU . 0.3 OUTLIER -60.1 -67.04 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.462 ' C ' HD12 ' A' ' 16' ' ' ILE . 90.3 m -43.59 -39.19 3.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.926 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 1.017 HD23 HD11 ' A' ' 16' ' ' ILE . 10.5 mt -68.46 -57.34 5.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.874 HD23 HD11 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -37.89 -28.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.868 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 56' ' ' LEU . . . -86.57 -60.62 1.94 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.414 ' HE2' ' HB3' ' A' ' 59' ' ' MET . 1.4 ttp -63.17 -8.53 8.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.507 ' CD2' ' N ' ' A' ' 61' ' ' CYS . 0.0 OUTLIER -78.46 -38.0 42.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.507 ' N ' ' CD2' ' A' ' 60' ' ' TYR . 85.8 m -35.16 -31.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.875 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 60' ' ' TYR . 2.1 m-20 -97.53 -71.74 0.67 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.494 ' O ' ' N ' ' A' ' 65' ' ' LYS . . . -60.27 148.0 44.25 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.514 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.584 ' N ' ' NE2' ' A' ' 70' ' ' GLN . 1.8 m-20 57.18 -80.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.914 0.387 . . . . 0.0 110.877 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 63' ' ' GLY . 0.0 OUTLIER 67.56 122.18 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.897 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -178.93 -47.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.825 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.448 ' N ' ' OH ' ' A' ' 60' ' ' TYR . . . 145.07 45.27 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.516 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.748 ' O ' HD22 ' A' ' 57' ' ' LEU . 13.2 m -158.62 -73.17 0.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.968 0.413 . . . . 0.0 110.861 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.674 ' N ' HD13 ' A' ' 69' ' ' LEU . 0.0 OUTLIER 178.6 -172.91 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.946 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.584 ' NE2' ' N ' ' A' ' 64' ' ' ASN . 3.4 tp-100 -145.79 156.7 43.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.988 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.44 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 18.1 t -89.42 109.2 29.83 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.615 0.722 . . . . 0.0 110.894 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.561 ' HD2' ' CD1' ' A' ' 51' ' ' PHE . 53.9 Cg_endo -69.75 -0.87 7.53 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.637 2.225 . . . . 0.0 112.361 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.441 ' OG ' ' N ' ' A' ' 74' ' ' CYS . 1.1 t -98.61 -87.37 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 76' ' ' THR . 14.5 p -88.18 32.89 0.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 74' ' ' CYS . 0.0 OUTLIER 34.27 33.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.901 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.505 HG23 ' CB ' ' A' ' 46' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.1 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.656 HG22 ' HA ' ' A' ' 44' ' ' LEU . 1.6 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.758 0.313 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.667 ' O ' HD23 ' A' ' 6' ' ' LEU . 9.5 tt0 -102.07 107.99 19.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -40.74 138.73 0.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.667 HD23 ' O ' ' A' ' 4' ' ' GLU . 6.3 mt -108.39 120.44 42.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -42.49 -23.52 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.469 HG12 ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -151.43 158.59 34.3 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.55 0.691 . . . . 0.0 111.161 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.469 ' HD2' HG12 ' A' ' 8' ' ' VAL . 54.3 Cg_endo -69.72 135.5 30.7 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.686 2.257 . . . . 0.0 112.4 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.409 ' HD3' HD12 ' A' ' 6' ' ' LEU . 53.9 Cg_endo -69.75 -90.84 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.672 2.248 . . . . 0.0 112.366 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 168.7 33.96 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.887 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.436 ' O ' ' CB ' ' A' ' 13' ' ' ASP . 9.1 tm-20 -101.35 -37.63 8.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.465 ' CA ' ' HG ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER 78.51 127.54 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.503 ' HB2' ' CG ' ' A' ' 52' ' ' HIS . 43.0 t -46.54 147.23 1.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.546 HD11 ' HD1' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -100.92 -23.5 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.168 179.898 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.59 HD11 HD23 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -64.87 -70.01 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 179.826 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' A' ' 18' ' ' MET . 31.5 p -95.19 20.84 8.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.942 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.427 ' C ' ' O ' ' A' ' 17' ' ' CYS . 1.1 ptp 34.58 70.85 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -135.19 -178.34 5.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.6 mttt -80.95 127.54 32.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.853 HD22 HG13 ' A' ' 41' ' ' VAL . 11.6 mt -61.81 -10.02 8.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.1 p -87.44 -38.68 15.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.731 HG22 ' N ' ' A' ' 24' ' ' ALA . 17.2 m -61.26 -92.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.163 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.731 ' N ' HG22 ' A' ' 23' ' ' THR . . . -176.84 177.55 1.31 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.128 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.472 ' CB ' ' HB3' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -71.09 125.66 27.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.899 -179.829 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.16 -0.46 65.81 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.491 ' CZ ' HG22 ' A' ' 16' ' ' ILE . 6.4 m-30 -100.5 -18.86 16.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.862 0.363 . . . . 0.0 110.891 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.22 -21.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.79 -63.71 0.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.857 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -137.69 86.99 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.176 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.414 ' CB ' HD11 ' A' ' 54' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.614 HD13 ' HB3' ' A' ' 53' ' ' LEU . 1.5 mt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.843 0.354 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.473 ' O ' ' CB ' ' A' ' 38' ' ' SER . . . -68.04 -82.87 0.15 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.507 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' A' ' 37' ' ' GLY . 0.2 OUTLIER 162.59 -34.23 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.919 0.39 . . . . 0.0 110.867 -179.787 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.883 HD23 ' O ' ' A' ' 39' ' ' LEU . 3.3 tt -89.16 19.93 4.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.609 ' HB3' HD12 ' A' ' 53' ' ' LEU . . . -110.82 151.58 27.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.081 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.853 HG13 HD22 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -120.66 140.9 43.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.062 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.414 ' C ' ' HB ' ' A' ' 3' ' ' THR . . . -142.02 131.46 4.76 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.505 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.535 ' CG ' ' O ' ' A' ' 43' ' ' HIS . 5.4 p80 -102.3 112.2 24.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.815 0.341 . . . . 0.0 110.888 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.802 HD23 ' HB2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -50.55 118.82 3.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.945 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 69.1 p -76.85 8.2 3.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.122 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.802 ' HB2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -93.02 -40.8 10.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.591 ' SG ' ' CD2' ' A' ' 49' ' ' HIS . 7.6 p -124.75 -15.63 6.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 1.3 p 84.01 33.46 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.591 ' CD2' ' SG ' ' A' ' 47' ' ' CYS . 7.5 m170 -105.09 137.5 42.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.858 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.601 ' C ' ' CG ' ' A' ' 51' ' ' PHE . . . -111.35 165.39 11.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.965 ' CD2' HD11 ' A' ' 56' ' ' LEU . 0.0 OUTLIER 172.64 -171.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.871 -179.884 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.503 ' CG ' ' HB2' ' A' ' 14' ' ' CYS . 42.1 m170 -82.4 110.76 17.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.935 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.614 ' HB3' HD13 ' A' ' 36' ' ' LEU . 24.2 mt -40.99 -70.12 0.11 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.545 ' C ' ' CD1' ' A' ' 54' ' ' LEU . 0.1 OUTLIER -39.58 -61.19 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 74.0 m -43.51 -53.1 5.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.965 HD11 ' CD2' ' A' ' 51' ' ' PHE . 4.9 mt -60.71 -60.64 3.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.497 ' O ' HD22 ' A' ' 57' ' ' LEU . 2.4 tm? -42.51 -35.32 1.03 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.34 -66.34 0.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.049 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.545 ' HE1' ' OE1' ' A' ' 70' ' ' GLN . 0.1 OUTLIER -70.86 -8.51 53.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.886 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.636 ' C ' ' CD1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -59.4 -14.43 12.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.904 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.444 ' N ' ' CD1' ' A' ' 60' ' ' TYR . 0.5 OUTLIER -69.49 -9.92 55.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.849 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -97.41 -59.47 1.78 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 65' ' ' LYS . . . -105.66 -176.78 23.99 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.528 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.447 ' OD1' ' C ' ' A' ' 76' ' ' THR . 3.5 m-20 40.66 -92.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.913 0.387 . . . . 0.0 110.941 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.569 ' HA ' ' CE2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER 58.09 30.82 19.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 179.89 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.85 -14.24 61.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.833 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 123.85 49.25 0.22 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.458 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.542 ' C ' HD13 ' A' ' 69' ' ' LEU . 19.5 p -175.52 -63.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.898 0.38 . . . . 0.0 110.878 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.557 ' C ' ' CD2' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -175.66 -173.69 0.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.546 ' O ' HD22 ' A' ' 56' ' ' LEU . 0.9 OUTLIER -133.98 152.81 52.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.451 ' C ' ' OE1' ' A' ' 70' ' ' GLN . 8.1 t -99.81 100.59 11.48 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.643 0.735 . . . . 0.0 110.871 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 71' ' ' CYS . 53.8 Cg_endo -69.78 -0.66 7.24 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.665 2.243 . . . . 0.0 112.342 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.18 -53.77 6.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.5 p -130.04 5.68 4.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.856 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.3 mptt 54.24 50.14 17.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.447 ' C ' ' OD1' ' A' ' 64' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.15 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.595 ' CG2' HD11 ' A' ' 69' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 120.711 0.291 . . . . 0.0 111.112 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.423 ' O ' HD23 ' A' ' 6' ' ' LEU . 9.8 tt0 -112.55 120.13 40.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -44.97 140.83 2.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.503 HD12 ' HG3' ' A' ' 10' ' ' PRO . 8.8 mt -97.99 113.6 25.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.9 mtmt -54.41 -18.32 4.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.687 HG13 ' HD2' ' A' ' 9' ' ' PRO . 98.9 t -140.52 138.95 19.35 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.588 0.708 . . . . 0.0 111.118 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.687 ' HD2' HG13 ' A' ' 8' ' ' VAL . 53.5 Cg_endo -69.77 110.33 2.53 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.674 2.249 . . . . 0.0 112.349 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.503 ' HG3' HD12 ' A' ' 6' ' ' LEU . 53.5 Cg_endo -69.79 -163.81 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.68 2.253 . . . . 0.0 112.306 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -120.7 20.89 11.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.792 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -67.67 -37.12 81.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.472 ' CA ' ' HG ' ' A' ' 21' ' ' LEU . 0.6 OUTLIER 65.0 129.09 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.934 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.516 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 36.8 t -42.79 160.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.839 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -121.76 -15.97 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.115 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.493 HD12 ' HB3' ' A' ' 55' ' ' CYS . 66.3 mt -82.14 -70.66 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.461 ' SG ' ' CG ' ' A' ' 19' ' ' GLU . 17.4 p -77.8 -1.76 33.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 55.34 53.59 9.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.461 ' CG ' ' SG ' ' A' ' 17' ' ' CYS . 6.5 mm-40 -128.92 -175.63 3.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.856 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.7 mtmt -79.26 139.81 37.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.574 HD21 ' HA ' ' A' ' 51' ' ' PHE . 7.0 mt -64.52 -8.0 12.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.956 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.71 -20.73 13.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.0 p -83.31 35.18 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.101 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.474 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . 51.48 178.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.082 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.71 131.49 34.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -74.71 -10.1 83.0 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.459 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -84.82 -21.23 29.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.87 0.366 . . . . 0.0 110.884 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.1 t -52.16 -17.58 1.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.829 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.5 -51.09 70.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.3 p -123.32 9.26 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 1.0 HG21 ' HB2' ' A' ' 58' ' ' ALA . 1.5 m . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.871 ' N ' HD13 ' A' ' 36' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.851 0.358 . . . . 0.0 110.938 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.42 161.71 27.32 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.468 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.28 -3.58 31.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.846 0.355 . . . . 0.0 110.803 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.61 12.2 16.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.451 ' CB ' HD12 ' A' ' 53' ' ' LEU . . . -113.75 121.17 43.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.064 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.3 t -99.94 113.42 35.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.212 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -125.27 145.77 15.85 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.45 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 -121.21 123.27 41.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.86 0.362 . . . . 0.0 110.857 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.485 HD22 ' HB2' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -58.05 124.92 20.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.952 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.2 p -79.1 9.6 4.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.485 ' HB2' HD22 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -87.52 -40.75 14.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.845 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.586 ' SG ' ' CD2' ' A' ' 49' ' ' HIS . 7.6 p -124.46 -16.42 6.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 0.9 OUTLIER 83.37 38.86 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.785 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.586 ' CD2' ' SG ' ' A' ' 47' ' ' CYS . 7.6 m170 -109.85 133.6 52.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.598 ' C ' ' CG ' ' A' ' 51' ' ' PHE . . . -106.71 164.35 12.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.891 ' CD2' HD11 ' A' ' 56' ' ' LEU . 0.0 OUTLIER 171.22 -170.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.805 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.516 ' CE1' ' HB2' ' A' ' 14' ' ' CYS . 32.4 m170 -81.07 108.73 14.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.84 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.451 HD12 ' CB ' ' A' ' 40' ' ' ALA . 34.8 mt -43.24 -47.42 6.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -60.0 -69.0 0.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.856 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.493 ' HB3' HD12 ' A' ' 16' ' ' ILE . 90.1 m -36.61 -48.8 0.72 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.814 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.891 HD11 ' CD2' ' A' ' 51' ' ' PHE . 3.0 mt -65.53 -57.87 7.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.927 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.736 ' HG ' HD21 ' A' ' 36' ' ' LEU . 2.6 tm? -43.33 -31.26 0.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 1.0 ' HB2' HG21 ' A' ' 31' ' ' THR . . . -66.67 -66.31 0.57 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -72.24 -8.44 54.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.592 ' C ' ' CD1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -58.92 -19.05 39.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.9 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.497 ' N ' ' CD1' ' A' ' 60' ' ' TYR . 0.5 OUTLIER -60.12 -13.82 13.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -97.45 -63.61 1.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 65' ' ' LYS . . . -85.83 169.46 42.6 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.49 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 40.18 -92.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.899 0.38 . . . . 0.0 110.917 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.576 ' HA ' ' CE2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER 66.43 31.86 7.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -80.85 -21.7 40.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 132.2 52.64 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.51 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.625 ' C ' HD13 ' A' ' 69' ' ' LEU . 1.1 t -171.33 -71.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.365 . . . . 0.0 110.83 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.625 HD13 ' C ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -177.71 -174.69 0.47 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.964 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.474 ' HG2' ' N ' ' A' ' 71' ' ' CYS . 6.7 tt0 -132.14 150.99 52.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.474 ' N ' ' HG2' ' A' ' 70' ' ' GLN . 8.9 t -97.94 102.52 13.82 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.648 0.737 . . . . 0.0 110.866 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.483 ' HG3' ' CG1' ' A' ' 16' ' ' ILE . 53.6 Cg_endo -69.82 -10.27 28.1 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.67 2.247 . . . . 0.0 112.335 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.47 -60.31 2.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.5 p -122.01 20.38 10.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.12 66.39 1.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.916 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.52 HG22 ' HG ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.753 0.311 . . . . 0.0 111.175 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.777 ' O ' HD23 ' A' ' 6' ' ' LEU . 33.6 tt0 -103.84 98.49 8.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 4' ' ' GLU . 14.1 tt0 -35.08 109.41 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.928 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.777 HD23 ' O ' ' A' ' 4' ' ' GLU . 0.2 OUTLIER -68.45 -11.88 60.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.932 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.556 ' C ' HG22 ' A' ' 8' ' ' VAL . 0.2 OUTLIER 65.62 4.97 3.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 179.891 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.556 HG22 ' C ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -172.06 166.34 3.75 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.613 0.72 . . . . 0.0 111.18 179.867 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.549 ' HD2' HG12 ' A' ' 8' ' ' VAL . 53.6 Cg_endo -69.84 131.74 21.76 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.668 2.245 . . . . 0.0 112.328 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.627 ' CG ' HD13 ' A' ' 21' ' ' LEU . 53.7 Cg_endo -69.78 -90.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.64 2.227 . . . . 0.0 112.373 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.0 p30 174.77 52.28 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.51 ' O ' ' CB ' ' A' ' 13' ' ' ASP . 30.2 mp0 -144.05 -97.48 0.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 4.1 m-20 159.68 144.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.845 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.402 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 34.3 t -53.65 158.43 1.88 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.86 -18.54 7.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.149 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.64 HD12 ' CB ' ' A' ' 55' ' ' CYS . 68.1 mt -83.52 -70.75 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 14.6 p -81.47 3.02 26.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 43.14 64.76 1.11 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -137.92 -172.93 3.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.5 ' HB2' HG23 ' A' ' 23' ' ' THR . 34.7 mttt -73.33 123.03 22.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.627 HD13 ' CG ' ' A' ' 10' ' ' PRO . 7.6 mt -57.91 -11.76 2.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.987 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.6 t -93.37 -41.22 9.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.5 HG23 ' HB2' ' A' ' 20' ' ' LYS . 33.7 p -51.6 -89.01 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.178 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.48 ' HB2' ' O ' ' A' ' 23' ' ' THR . . . 174.22 171.01 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.084 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.4 t -67.83 121.27 15.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -70.09 -6.46 56.91 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.521 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.55 ' CZ ' HG22 ' A' ' 16' ' ' ILE . 8.5 m-30 -92.23 -11.81 34.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.889 0.376 . . . . 0.0 110.899 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.1 -26.04 0.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.823 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.455 ' O ' HG13 ' A' ' 30' ' ' VAL . 2.5 m-20 -45.56 -47.44 14.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.455 HG13 ' O ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -163.95 84.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.539 HG23 ' HB3' ' A' ' 27' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.709 ' CD1' HD22 ' A' ' 57' ' ' LEU . 6.5 mp . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.852 0.358 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.76 -8.35 66.26 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.514 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.44 ' CB ' HD23 ' A' ' 54' ' ' LEU . 78.1 p 52.0 69.79 0.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.822 0.344 . . . . 0.0 110.786 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.8 tp 174.31 -27.5 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.64 ' CB ' HD12 ' A' ' 53' ' ' LEU . . . -58.59 129.95 44.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.015 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.601 HG11 ' HD3' ' A' ' 10' ' ' PRO . 0.2 OUTLIER -102.31 127.26 56.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.16 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.802 ' HA3' HD21 ' A' ' 53' ' ' LEU . . . -123.58 149.04 16.85 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.474 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.777 ' ND1' ' HB2' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -124.51 95.72 4.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.828 0.347 . . . . 0.0 110.9 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.531 ' CD1' ' CD2' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -53.34 89.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.945 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.414 ' N ' ' O ' ' A' ' 43' ' ' HIS . 11.9 p -45.63 -21.18 0.09 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.128 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.39 -46.63 47.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.594 ' SG ' ' CD2' ' A' ' 49' ' ' HIS . 7.7 p -125.07 -14.79 6.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.829 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 1.5 t 84.53 34.34 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.594 ' CD2' ' SG ' ' A' ' 47' ' ' CYS . 6.4 m170 -107.91 120.78 43.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.777 ' HB2' ' ND1' ' A' ' 43' ' ' HIS . . . -96.01 164.35 12.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.912 ' CD1' HD11 ' A' ' 56' ' ' LEU . 0.0 OUTLIER 174.63 -169.83 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.812 -179.916 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.402 ' CE1' ' HB2' ' A' ' 14' ' ' CYS . 27.8 m170 -82.7 105.95 14.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.802 HD21 ' HA3' ' A' ' 42' ' ' GLY . 79.8 mt -42.18 -38.26 1.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.561 ' C ' HD12 ' A' ' 54' ' ' LEU . 0.3 OUTLIER -64.72 -68.61 0.34 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 179.884 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.64 ' CB ' HD12 ' A' ' 16' ' ' ILE . 69.4 m -41.51 -41.38 2.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.912 HD11 ' CD1' ' A' ' 51' ' ' PHE . 7.4 mt -70.33 -58.12 4.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.709 HD22 ' CD1' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -45.49 -23.19 0.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.21 -66.35 0.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.077 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -70.41 -10.91 60.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.579 ' CE1' ' HA ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -56.94 -26.65 59.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.873 -179.825 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.565 ' N ' ' CD2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -45.83 -21.48 0.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.921 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -97.46 -61.73 1.35 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 65' ' ' LYS . . . -58.46 -152.52 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.509 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 76' ' ' THR . 0.7 OUTLIER -52.97 84.83 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.868 0.366 . . . . 0.0 110.887 -179.895 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.579 ' HA ' ' CE1' ' A' ' 60' ' ' TYR . 13.8 ttpt -85.3 79.26 9.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.943 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -130.06 31.99 4.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 75.26 62.02 2.85 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.501 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.582 ' O ' HD12 ' A' ' 57' ' ' LEU . 8.2 m -165.83 -95.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.867 0.365 . . . . 0.0 110.881 -179.732 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.56 ' C ' ' CD2' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -171.97 -173.7 1.18 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.672 ' O ' HD22 ' A' ' 56' ' ' LEU . 47.1 tt0 -136.44 155.1 50.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.469 ' N ' ' HG2' ' A' ' 70' ' ' GLN . 11.9 t -101.28 100.73 14.28 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.615 0.721 . . . . 0.0 110.906 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.481 ' HG3' ' CG1' ' A' ' 16' ' ' ILE . 54.4 Cg_endo -69.72 -5.15 15.49 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.687 2.258 . . . . 0.0 112.377 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.59 -57.93 3.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.797 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.5 p -125.02 12.43 8.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt 63.03 80.82 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.499 ' O ' ' ND2' ' A' ' 64' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.092 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.814 ' CG2' HD11 ' A' ' 69' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.79 0.329 . . . . 0.0 111.146 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.29 111.45 15.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -44.12 148.96 0.37 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.881 HD11 ' CE1' ' A' ' 43' ' ' HIS . 5.7 mt -104.22 -5.05 22.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.835 ' O ' HG13 ' A' ' 8' ' ' VAL . 0.3 OUTLIER 62.37 8.05 2.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 179.819 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.835 HG13 ' O ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER 172.35 162.34 0.26 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.631 0.729 . . . . 0.0 111.166 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.771 ' HA ' HG21 ' A' ' 41' ' ' VAL . 54.0 Cg_endo -69.8 128.93 16.7 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.736 2.291 . . . . 0.0 112.277 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -90.94 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.649 2.233 . . . . 0.0 112.31 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.3 p30 175.57 41.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.707 ' HB3' HD12 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -112.97 -96.96 0.43 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.926 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 0.4 OUTLIER 159.81 145.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.49 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 48.7 t -70.88 141.1 51.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -96.6 -23.72 4.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.609 HG22 ' CZ ' ' A' ' 27' ' ' TYR . 13.7 mt -79.64 -70.56 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.411 ' SG ' ' CB ' ' A' ' 19' ' ' GLU . 14.5 p -79.93 12.51 2.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' ' 17' ' ' CYS . 3.8 mtp 37.72 38.37 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.411 ' CB ' ' SG ' ' A' ' 17' ' ' CYS . 2.1 tp10 -116.14 150.7 37.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -47.87 138.95 8.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.707 HD12 ' HB3' ' A' ' 12' ' ' GLU . 6.2 mt -64.25 -12.74 44.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.56 -20.32 19.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.991 0.424 . . . . 0.0 110.869 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.9 p -83.47 22.37 1.06 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.089 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 56.8 -178.54 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.18 119.31 14.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.806 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -69.86 -21.42 76.66 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.609 ' CZ ' HG22 ' A' ' 16' ' ' ILE . 7.4 m-30 -80.52 -10.74 59.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.929 0.395 . . . . 0.0 110.978 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.7 t -43.21 -27.61 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.849 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.2 -43.65 70.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.7 t -102.89 -46.0 10.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.537 ' HB ' HD11 ' A' ' 54' ' ' LEU . 31.0 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.15 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.817 HD21 HD13 ' A' ' 57' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.87 0.366 . . . . 0.0 110.941 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.435 ' O ' HD23 ' A' ' 39' ' ' LEU . . . 111.65 -14.19 27.27 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.481 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 63.83 23.39 13.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.884 0.373 . . . . 0.0 110.873 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.485 ' O ' HD12 ' A' ' 39' ' ' LEU . 0.6 OUTLIER -155.15 38.28 0.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.951 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -139.8 119.83 13.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.178 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.771 HG21 ' HA ' ' A' ' 9' ' ' PRO . 0.2 OUTLIER -109.5 140.17 29.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.087 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -157.04 128.72 2.22 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.49 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.881 ' CE1' HD11 ' A' ' 6' ' ' LEU . 1.0 OUTLIER -75.42 143.47 42.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.858 0.361 . . . . 0.0 110.914 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.651 HD22 ' HB2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -80.99 103.6 10.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.854 -179.88 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 68.8 p -38.54 -35.39 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.651 ' HB2' HD22 ' A' ' 44' ' ' LEU . 5.9 mttm -51.1 -47.29 61.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.457 ' O ' ' CB ' ' A' ' 48' ' ' SER . 31.3 p -127.11 -46.86 1.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 44' ' ' LEU . 0.3 OUTLIER 79.62 73.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.825 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.678 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 31.0 m170 -114.73 -25.23 8.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.924 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.678 ' HB3' ' O ' ' A' ' 49' ' ' HIS . . . 83.74 133.06 0.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.706 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -173.8 173.54 3.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.571 ' O ' HD13 ' A' ' 56' ' ' LEU . 28.8 m170 -82.69 97.32 8.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.483 ' C ' HD12 ' A' ' 36' ' ' LEU . 35.9 mt -36.25 -43.65 0.37 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.872 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.815 ' N ' HD12 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -57.9 -70.2 0.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.856 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.504 ' C ' HD12 ' A' ' 16' ' ' ILE . 63.3 m -43.97 -29.46 0.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.742 HD23 ' O ' ' A' ' 70' ' ' GLN . 8.7 mp -81.12 -38.7 26.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.965 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.817 HD13 HD21 ' A' ' 36' ' ' LEU . 2.7 tp -60.3 -10.58 4.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -93.0 -36.54 12.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.517 ' HE1' ' O ' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -99.1 -8.52 25.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.576 ' CE1' ' HA ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -64.41 -25.82 68.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 -179.837 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.435 ' N ' ' CD2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -53.42 -15.56 1.09 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -97.51 -67.54 0.84 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 65' ' ' LYS . . . -77.71 176.01 54.0 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.456 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 38.94 -92.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.935 0.398 . . . . 0.0 110.841 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.576 ' HA ' ' CE1' ' A' ' 60' ' ' TYR . 0.5 OUTLIER 70.22 119.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 177.73 -32.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.862 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 143.67 40.65 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.462 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.688 ' HB3' HD13 ' A' ' 69' ' ' LEU . 58.5 m -157.3 -94.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.826 0.346 . . . . 0.0 110.84 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.814 HD11 ' CG2' ' A' ' 3' ' ' THR . 0.0 OUTLIER -164.41 -172.07 2.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.989 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.742 ' O ' HD23 ' A' ' 56' ' ' LEU . 2.4 tt0 -144.1 148.25 34.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.942 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.442 ' N ' ' HG2' ' A' ' 70' ' ' GLN . 5.5 t -80.65 111.28 21.72 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.646 0.736 . . . . 0.0 110.879 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 71' ' ' CYS . 53.1 Cg_endo -69.84 -7.95 22.36 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.651 2.234 . . . . 0.0 112.346 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.31 -87.79 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 18.5 p -86.81 28.81 0.85 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt 45.65 33.66 1.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.5 HG23 ' CB ' ' A' ' 46' ' ' LYS . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.173 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.488 ' CG2' HD11 ' A' ' 69' ' ' LEU . 2.4 p . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.698 0.285 . . . . 0.0 111.178 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -128.86 120.55 26.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.429 ' C ' HD23 ' A' ' 6' ' ' LEU . 2.9 tt0 -46.55 142.62 3.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.429 HD23 ' C ' ' A' ' 5' ' ' GLU . 4.9 mt -112.65 127.3 56.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.967 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? -65.1 -17.8 64.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -144.98 147.61 35.48 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.595 0.712 . . . . 0.0 111.178 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.8 125.23 11.88 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.695 2.263 . . . . 0.0 112.338 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.461 ' HG2' ' CD1' ' A' ' 21' ' ' LEU . 54.3 Cg_endo -69.71 -163.8 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.662 2.241 . . . . 0.0 112.357 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.465 ' OD1' ' N ' ' A' ' 11' ' ' ASP . 10.8 p-10 -119.73 90.89 3.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -170.82 -33.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.456 ' CA ' ' HG ' ' A' ' 21' ' ' LEU . 1.6 m-20 65.97 142.59 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.572 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 49.5 t -40.4 161.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.483 ' CG1' ' HG2' ' A' ' 72' ' ' PRO . 0.0 OUTLIER -119.18 -21.47 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.604 ' CD1' HD23 ' A' ' 56' ' ' LEU . 44.8 mt -76.73 -66.57 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.147 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 14.5 p -91.28 12.41 20.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 19.0 mmm 38.67 73.85 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -143.76 169.43 17.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.81 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.76 123.85 19.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.686 HD21 ' HA ' ' A' ' 51' ' ' PHE . 5.5 mt -61.13 -9.96 5.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 p -92.43 -41.38 10.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.602 HG22 ' N ' ' A' ' 24' ' ' ALA . 21.9 m -54.87 -89.86 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.177 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.602 ' N ' HG22 ' A' ' 23' ' ' THR . . . 172.7 158.43 0.11 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.107 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -42.15 146.42 0.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -87.32 -34.06 11.02 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.469 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.49 ' CE2' ' CG2' ' A' ' 16' ' ' ILE . 14.6 m-30 -78.77 1.74 22.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.903 0.382 . . . . 0.0 110.971 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.681 ' HA ' HD21 ' A' ' 54' ' ' LEU . 14.7 t -39.74 -29.35 0.06 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.839 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -48.06 -52.58 19.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.747 HG13 ' O ' ' A' ' 30' ' ' VAL . 13.7 p -176.8 90.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.132 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.755 ' OG1' HD11 ' A' ' 54' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.56 HD12 ' HA ' ' A' ' 54' ' ' LEU . 2.1 mt . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.848 0.356 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 40.38 27.56 0.16 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.81 ' HB3' HD23 ' A' ' 54' ' ' LEU . 9.4 p 61.08 174.91 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.864 0.364 . . . . 0.0 110.897 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.486 ' CB ' ' O ' ' A' ' 38' ' ' SER . 0.3 OUTLIER 82.85 29.97 0.09 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.494 ' O ' HD12 ' A' ' 53' ' ' LEU . . . -154.33 123.54 6.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.088 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.9 t -109.5 121.98 63.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -137.87 118.01 1.58 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.455 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.553 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 2.3 p-80 -78.62 140.06 38.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.831 0.348 . . . . 0.0 110.825 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -72.57 97.74 2.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.966 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 44' ' ' LEU . 80.3 p -35.48 -31.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 44' ' ' LEU . 18.4 tptt -49.68 -59.04 4.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.5 ' SG ' ' CD2' ' A' ' 49' ' ' HIS . 28.4 p -118.12 -33.59 4.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.07 79.16 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.841 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.676 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 26.4 m170 -116.17 -30.56 5.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.842 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.676 ' HB3' ' O ' ' A' ' 49' ' ' HIS . . . 84.31 138.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.137 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.849 ' HB2' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -169.98 -159.88 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 -179.881 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.572 ' CE1' ' HB2' ' A' ' 14' ' ' CYS . 39.0 m170 -108.44 102.33 11.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.494 HD12 ' O ' ' A' ' 40' ' ' ALA . 28.2 mt -35.75 -65.66 0.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 1.025 ' O ' HD12 ' A' ' 54' ' ' LEU . 0.3 OUTLIER -44.26 -44.7 8.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.872 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.496 ' HB3' ' CD1' ' A' ' 16' ' ' ILE . 84.8 m -63.86 -50.4 68.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.891 HD22 ' HD3' ' A' ' 72' ' ' PRO . 14.4 mt -52.67 -43.44 65.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.471 HD22 ' CD1' ' A' ' 36' ' ' LEU . 8.2 tp -58.51 -11.05 2.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.447 ' HB2' ' CG2' ' A' ' 31' ' ' THR . . . -93.44 -35.18 13.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.064 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.451 ' CE ' ' HB3' ' A' ' 70' ' ' GLN . 1.8 ppp? -99.3 -8.42 24.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.577 ' CE1' ' HA ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -75.11 -15.48 60.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.984 -179.916 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 26.9 p -63.81 -11.29 25.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -97.43 -59.32 1.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 64' ' ' ASN . . . -113.97 -176.74 19.19 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.449 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.537 ' O ' ' CE1' ' A' ' 60' ' ' TYR . 5.5 m-20 34.39 56.66 0.67 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.903 0.383 . . . . 0.0 110.903 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.577 ' HA ' ' CE1' ' A' ' 60' ' ' TYR . 0.1 OUTLIER -86.05 31.5 0.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.43 -54.77 31.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 155.84 33.53 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.456 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.598 ' CB ' HD13 ' A' ' 69' ' ' LEU . 5.3 m -145.77 -71.95 0.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.812 0.339 . . . . 0.0 110.832 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.643 ' N ' HD13 ' A' ' 69' ' ' LEU . 0.0 OUTLIER 178.44 -172.58 0.13 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.492 ' OE1' ' ND2' ' A' ' 64' ' ' ASN . 4.1 tp60 -133.54 157.47 45.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 72' ' ' PRO . 41.0 t -85.61 110.39 29.32 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.652 0.739 . . . . 0.0 110.897 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.891 ' HD3' HD22 ' A' ' 56' ' ' LEU . 53.1 Cg_endo -69.83 -8.77 24.45 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.6 2.2 . . . . 0.0 112.349 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.41 ' HB3' ' ND1' ' A' ' 49' ' ' HIS . 9.5 t -82.62 -71.77 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.868 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.5 ' O ' ' N ' ' A' ' 76' ' ' THR . 18.4 p -111.39 38.48 2.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.944 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 74' ' ' CYS . 61.9 mmtt 34.64 32.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.818 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.5 ' N ' ' O ' ' A' ' 74' ' ' CYS . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.118 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.483 HG22 ' HG ' ' A' ' 44' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.697 0.284 . . . . 0.0 111.161 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 5' ' ' GLU . 0.0 OUTLIER -139.15 121.39 15.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 4' ' ' GLU . 5.8 tt0 -35.04 141.18 0.07 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.885 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.0 mt -99.95 -10.6 21.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 64.7 5.97 3.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.671 HG23 ' HD2' ' A' ' 9' ' ' PRO . 4.4 p -170.4 138.8 1.38 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.626 0.727 . . . . 0.0 111.167 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.671 ' HD2' HG23 ' A' ' 8' ' ' VAL . 54.2 Cg_endo -69.75 110.32 2.52 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.686 2.257 . . . . 0.0 112.346 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 9' ' ' PRO . 53.9 Cg_endo -69.68 -165.52 0.15 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.763 2.309 . . . . 0.0 112.354 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.87 54.01 0.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.582 ' CB ' ' HB3' ' A' ' 50' ' ' ALA . 10.2 mm-40 -111.31 -37.12 5.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.849 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.401 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 7.9 t70 76.55 127.84 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.824 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.545 ' C ' HD13 ' A' ' 15' ' ' ILE . 11.4 t -55.58 165.55 0.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.545 HD13 ' C ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -120.66 -9.93 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.116 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.423 ' CD1' ' SD ' ' A' ' 59' ' ' MET . 0.6 OUTLIER -88.08 -65.97 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.872 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 28.0 p -85.83 8.18 21.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 2.6 mmm 41.17 41.14 1.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -119.22 155.76 31.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.39 121.65 8.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.933 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.504 HD23 ' NE2' ' A' ' 52' ' ' HIS . 5.9 mt -51.87 -16.67 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.877 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.459 ' HA ' ' CB ' ' A' ' 9' ' ' PRO . 18.9 t -75.63 -48.73 20.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.472 ' O ' ' HB2' ' A' ' 24' ' ' ALA . 38.4 p -51.17 -89.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.111 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' A' ' 23' ' ' THR . . . 175.4 179.34 0.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.08 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.1 t -71.91 110.59 6.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.96 -15.02 59.75 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.519 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.444 ' HB3' ' CG2' ' A' ' 31' ' ' THR . 3.5 m-30 -79.42 -14.85 58.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.925 0.393 . . . . 0.0 110.956 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.0 t -46.73 -24.23 0.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.849 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.73 -40.27 91.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.934 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.23 -57.53 4.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.444 ' CG2' ' HB3' ' A' ' 27' ' ' TYR . 73.2 p . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.817 HD12 ' HA ' ' A' ' 54' ' ' LEU . 71.2 mt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.809 0.338 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.422 ' O ' ' CB ' ' A' ' 38' ' ' SER . . . 122.09 -19.84 8.17 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.497 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.661 ' HB2' HD23 ' A' ' 54' ' ' LEU . 1.4 p 78.07 20.91 0.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.936 0.398 . . . . 0.0 110.841 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -145.93 28.31 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.916 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.78 ' O ' HD12 ' A' ' 53' ' ' LEU . . . -121.95 102.33 8.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 179.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 38.6 t -96.9 137.51 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.184 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -163.04 116.94 0.74 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.467 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.428 ' C ' ' HB ' ' A' ' 3' ' ' THR . 0.3 OUTLIER -61.51 137.63 58.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.879 0.371 . . . . 0.0 110.851 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.513 HD11 ' CD2' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -71.26 103.28 2.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 31.7 p -41.99 -28.94 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.161 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.68 -68.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 48' ' ' SER . 26.6 p -96.76 -37.89 10.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.812 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 0.3 OUTLIER 82.96 67.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.821 -179.857 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.71 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 25.3 m170 -114.36 -101.14 0.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.936 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.71 ' HB2' ' O ' ' A' ' 49' ' ' HIS . . . 159.18 131.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.831 ' CD2' HD11 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -170.29 -172.29 1.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.879 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.504 ' NE2' HD23 ' A' ' 21' ' ' LEU . 23.4 m170 -98.59 101.92 13.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.822 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.78 HD12 ' O ' ' A' ' 40' ' ' ALA . 72.8 mt -35.99 -32.89 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.817 ' HA ' HD12 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -68.97 -61.26 1.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 34.8 m -51.48 -30.63 20.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.803 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.852 HD22 ' HD3' ' A' ' 72' ' ' PRO . 5.5 mt -73.07 -57.37 4.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.842 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.424 ' HA ' HD23 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -46.46 -20.6 0.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.404 ' N ' ' C ' ' A' ' 56' ' ' LEU . . . -81.14 -64.0 1.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.189 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.436 ' CE ' ' HB3' ' A' ' 70' ' ' GLN . 1.0 OUTLIER -72.04 -8.52 55.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 179.869 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.576 ' CD1' ' HA ' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -62.95 -18.47 63.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.853 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -9.35 4.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.411 ' OD1' ' C ' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -91.46 -51.88 5.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -137.34 -172.12 12.42 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.46 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 50.2 34.21 8.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.819 0.343 . . . . 0.0 110.858 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.521 ' HA ' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -79.96 102.1 9.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.879 179.923 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -159.81 -46.45 0.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 68' ' ' SER . . . 165.78 75.32 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.506 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.583 ' OG ' HD13 ' A' ' 69' ' ' LEU . 2.3 t 160.87 -94.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.863 0.364 . . . . 0.0 110.891 -179.702 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.583 HD13 ' OG ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -174.21 -173.4 0.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.436 ' HB3' ' CE ' ' A' ' 59' ' ' MET . 66.5 tt0 -119.1 157.67 27.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.918 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.601 ' SG ' ' CE1' ' A' ' 51' ' ' PHE . 33.9 t -90.98 115.65 64.75 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.6 0.714 . . . . 0.0 110.864 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.852 ' HD3' HD22 ' A' ' 56' ' ' LEU . 54.2 Cg_endo -69.75 -14.4 36.06 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.365 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.431 ' HB3' ' ND1' ' A' ' 49' ' ' HIS . 8.7 t -78.0 -71.76 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.814 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 76' ' ' THR . 26.4 p -110.27 39.35 2.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 41.05 24.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 74' ' ' CYS . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.142 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.651 HG21 HD11 ' A' ' 69' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.786 0.327 . . . . 0.0 111.114 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 5' ' ' GLU . 0.4 OUTLIER -122.66 115.87 22.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.2 OUTLIER -36.31 145.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 8' ' ' VAL . 8.1 mt -113.29 117.64 32.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.73 -23.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.628 HG12 ' HD2' ' A' ' 9' ' ' PRO . 0.1 OUTLIER -150.74 148.87 24.33 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.591 0.71 . . . . 0.0 111.152 179.846 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.628 ' HD2' HG12 ' A' ' 8' ' ' VAL . 53.1 Cg_endo -69.76 127.5 14.68 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.633 2.222 . . . . 0.0 112.363 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.74 ' HD2' HG11 ' A' ' 41' ' ' VAL . 53.8 Cg_endo -69.72 -163.9 0.12 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.729 2.286 . . . . 0.0 112.34 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -125.98 49.89 1.92 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.919 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -103.09 -28.21 12.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 75.13 127.37 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.814 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.574 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 51.4 t -52.14 144.55 12.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.476 HD11 ' HD2' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -101.38 -18.8 6.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.161 179.892 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.663 HD11 HD23 ' A' ' 56' ' ' LEU . 0.8 OUTLIER -77.89 -70.49 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.128 179.87 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.4 p -79.28 -1.79 38.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 8.6 mtp 56.37 39.8 29.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -117.36 171.97 7.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.844 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.44 ' CD ' ' N ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -65.67 139.5 58.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.959 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.719 HD13 ' HG2' ' A' ' 10' ' ' PRO . 7.4 mt -71.25 0.5 7.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 p -109.49 -0.13 19.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.415 HG22 ' O ' ' A' ' 23' ' ' THR . 4.4 m -111.22 34.02 4.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.197 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 53.51 -179.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.08 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.425 ' HA ' ' ND1' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -74.7 142.29 44.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.83 -179.787 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -85.91 -18.4 59.73 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.501 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.433 ' O ' ' N ' ' A' ' 30' ' ' VAL . 8.4 m-30 -82.54 -13.38 56.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.813 0.34 . . . . 0.0 110.924 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.481 ' HB2' ' CB ' ' A' ' 38' ' ' SER . 0.1 OUTLIER -36.85 -39.82 0.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.819 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -60.5 -48.41 81.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.847 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 27' ' ' TYR . 95.4 t -83.06 -71.91 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.602 ' OG1' HD11 ' A' ' 54' ' ' LEU . 21.4 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.151 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.946 HD21 HD12 ' A' ' 57' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.81 0.338 . . . . 0.0 110.914 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.456 ' O ' HD23 ' A' ' 39' ' ' LEU . . . 57.47 13.29 10.8 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.43 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.635 ' CB ' HD23 ' A' ' 54' ' ' LEU . 2.0 t 65.05 46.23 2.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.952 0.406 . . . . 0.0 110.824 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.456 HD23 ' O ' ' A' ' 37' ' ' GLY . 0.6 OUTLIER -165.95 48.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.957 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -155.22 122.62 5.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.08 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.74 HG11 ' HD2' ' A' ' 10' ' ' PRO . 2.5 t -114.18 129.84 69.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.091 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -160.44 121.55 1.04 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.57 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 40.8 p-80 -67.76 147.19 52.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.877 0.37 . . . . 0.0 110.806 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -76.14 97.13 4.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.956 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 44' ' ' LEU . 50.3 p -34.53 -32.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.154 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 44' ' ' LEU . 8.4 tptt -47.71 -63.94 0.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.485 ' O ' ' CB ' ' A' ' 48' ' ' SER . 17.8 p -106.11 -34.1 7.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 3.0 t 82.7 64.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.705 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 26.3 m170 -109.1 -100.35 0.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.705 ' HB2' ' O ' ' A' ' 49' ' ' HIS . . . 159.59 135.61 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.798 ' CD1' HD11 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -176.64 168.72 2.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.574 ' CE1' ' HB2' ' A' ' 14' ' ' CYS . 31.3 m170 -80.57 100.7 8.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.82 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.426 ' C ' ' HG ' ' A' ' 36' ' ' LEU . 42.7 mt -36.23 -30.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.778 ' C ' HD12 ' A' ' 54' ' ' LEU . 0.3 OUTLIER -74.19 -66.68 0.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.909 179.881 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 99.3 m -45.76 -33.66 3.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.798 HD11 ' CD1' ' A' ' 51' ' ' PHE . 17.0 mt -72.73 -55.92 6.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.946 HD12 HD21 ' A' ' 36' ' ' LEU . 2.5 tt -41.72 -23.91 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.965 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 56' ' ' LEU . . . -70.94 -65.98 0.67 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.07 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.0 -8.46 57.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.585 ' CD2' ' N ' ' A' ' 61' ' ' CYS . 0.0 OUTLIER -61.22 -29.81 70.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.883 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.585 ' N ' ' CD2' ' A' ' 60' ' ' TYR . 1.0 OUTLIER -57.28 -13.87 3.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -80.16 -51.48 8.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 64' ' ' ASN . . . -145.43 174.02 25.6 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.416 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.47 ' HB2' ' NE2' ' A' ' 70' ' ' GLN . 55.1 t30 38.04 50.82 1.39 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.915 0.388 . . . . 0.0 110.907 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.579 ' HA ' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -116.06 97.47 6.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -125.62 -13.12 6.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.816 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 147.87 44.18 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.498 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.603 ' C ' HD13 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -165.59 -86.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.901 0.382 . . . . 0.0 110.881 -179.708 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.651 HD11 HG21 ' A' ' 3' ' ' THR . 0.0 OUTLIER -177.73 -173.37 0.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.47 ' NE2' ' HB2' ' A' ' 64' ' ' ASN . 4.4 tp60 -129.05 156.01 44.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.979 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.587 ' HG ' ' HE2' ' A' ' 51' ' ' PHE . 15.9 t -91.33 107.58 22.59 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.605 0.717 . . . . 0.0 110.834 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.677 ' HD3' HD22 ' A' ' 56' ' ' LEU . 53.7 Cg_endo -69.79 3.09 2.99 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.737 2.291 . . . . 0.0 112.314 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.94 -84.08 0.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 75' ' ' LYS . 14.5 p -97.39 29.86 3.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 74' ' ' CYS . 10.7 mmtm 33.98 42.38 0.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.443 ' O ' ' CG2' ' A' ' 76' ' ' THR . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.779 ' CG2' HD11 ' A' ' 69' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.782 0.325 . . . . 0.0 111.189 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.463 ' O ' HD23 ' A' ' 6' ' ' LEU . 62.3 tt0 -94.12 105.43 17.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 4' ' ' GLU . 8.5 tt0 -35.05 133.0 0.32 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.3 OUTLIER -88.72 104.2 16.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 6' ' ' LEU . 0.3 OUTLIER -34.21 -34.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.958 179.816 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.474 ' N ' ' O ' ' A' ' 6' ' ' LEU . 19.6 m -129.8 152.5 79.96 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.622 0.725 . . . . 0.0 111.147 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.71 140.03 41.86 Favored 'Trans proline' 0 N--CA 1.464 -0.219 0 C-N-CA 122.718 2.279 . . . . 0.0 112.378 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.498 ' O ' ' CB ' ' A' ' 11' ' ' ASP . 53.3 Cg_endo -69.8 -34.55 14.22 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.691 2.26 . . . . 0.0 112.379 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER 82.84 38.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.887 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.486 ' HB2' HD12 ' A' ' 21' ' ' LEU . 1.5 mm-40 -103.67 -94.65 0.32 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.916 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.448 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 0.3 OUTLIER 163.5 116.73 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.478 ' N ' ' O ' ' A' ' 19' ' ' GLU . 36.4 t -37.77 156.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.71 -20.51 6.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.094 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.896 HD11 HD23 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -80.29 -70.12 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.077 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 18' ' ' MET . 14.7 p -85.0 18.73 2.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.441 ' C ' ' O ' ' A' ' 17' ' ' CYS . 0.8 OUTLIER 35.32 71.17 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 14' ' ' CYS . 25.3 mm-40 -145.8 -176.84 5.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.8 mttp -77.28 132.53 38.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.936 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.74 HD21 ' HA ' ' A' ' 51' ' ' PHE . 7.7 mt -69.15 -4.23 16.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.876 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.48 -12.84 19.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.678 HG22 ' N ' ' A' ' 24' ' ' ALA . 18.5 m -83.07 -91.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.117 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.803 ' HB1' ' OG ' ' A' ' 38' ' ' SER . . . -175.77 169.08 3.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.105 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.474 ' CB ' ' HB3' ' A' ' 54' ' ' LEU . 0.1 OUTLIER -70.68 128.19 35.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.82 -179.71 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.15 -33.88 84.5 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.528 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.485 ' O ' ' N ' ' A' ' 29' ' ' ASP . 7.3 m-85 -67.82 -21.59 65.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.859 0.361 . . . . 0.0 110.921 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.565 ' HA ' HD21 ' A' ' 54' ' ' LEU . 8.1 p -39.23 -25.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.815 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.807 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.4 OUTLIER -46.62 -64.46 0.76 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.807 HG23 ' O ' ' A' ' 29' ' ' ASP . 3.4 t -167.92 90.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.132 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.409 HG21 HD11 ' A' ' 54' ' ' LEU . 1.5 t . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.097 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.819 HD13 HD22 ' A' ' 57' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.833 0.349 . . . . 0.0 110.886 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 36' ' ' LEU . . . -37.04 146.38 0.08 OUTLIER Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.428 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.803 ' OG ' ' HB1' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -85.28 11.49 9.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.911 0.386 . . . . 0.0 110.816 -179.743 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.61 1.73 4.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.989 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.681 ' O ' HD12 ' A' ' 53' ' ' LEU . . . -71.56 66.79 0.51 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.114 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.3 t -46.07 118.42 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -127.98 129.34 6.31 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.543 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.549 ' CG ' ' O ' ' A' ' 43' ' ' HIS . 2.8 p80 -103.56 117.39 34.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.834 0.349 . . . . 0.0 110.877 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.568 HD12 ' HB2' ' A' ' 71' ' ' CYS . 1.1 mt -58.7 119.49 7.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 56.3 p -72.51 2.55 6.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.164 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.12 -43.57 16.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.593 ' SG ' ' CD2' ' A' ' 49' ' ' HIS . 6.7 p -124.42 -16.93 6.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.481 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 0.3 OUTLIER 83.29 42.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.841 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.593 ' CD2' ' SG ' ' A' ' 47' ' ' CYS . 9.0 m170 -109.88 129.06 55.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.6 ' C ' ' CG ' ' A' ' 51' ' ' PHE . . . -97.67 160.16 14.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.088 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.951 ' CD2' HD11 ' A' ' 56' ' ' LEU . 0.0 OUTLIER 173.04 175.54 0.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.923 -179.927 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.464 ' CE1' ' HB2' ' A' ' 14' ' ' CYS . 35.8 m170 -68.08 102.18 1.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.711 ' HA ' HD12 ' A' ' 56' ' ' LEU . 5.7 mt -36.28 -70.14 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.727 HD13 HD21 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -37.8 -63.16 0.49 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.872 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.406 ' C ' HD12 ' A' ' 16' ' ' ILE . 98.7 m -43.22 -51.48 6.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.951 HD11 ' CD2' ' A' ' 51' ' ' PHE . 13.8 mt -54.34 -59.2 4.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.819 HD22 HD13 ' A' ' 36' ' ' LEU . 5.8 tp -44.5 -46.0 9.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.957 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.409 ' CB ' ' CD2' ' A' ' 27' ' ' TYR . . . -59.01 -61.08 2.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.092 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -70.92 -8.67 54.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.833 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.646 ' C ' ' CD2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -64.49 -14.85 59.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.923 -179.861 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.431 ' N ' ' CD2' ' A' ' 60' ' ' TYR . 0.5 OUTLIER -69.13 -9.38 52.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -93.28 -53.83 3.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 65' ' ' LYS . . . -115.94 -168.03 15.14 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.51 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.461 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 3.1 m120 44.35 -90.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.851 0.358 . . . . 0.0 110.921 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.577 ' HA ' ' CE1' ' A' ' 60' ' ' TYR . 0.1 OUTLIER 58.31 25.84 13.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.892 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.449 ' C ' ' OD2' ' A' ' 66' ' ' ASP . 0.9 OUTLIER -72.48 -36.55 68.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 179.897 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 145.26 40.8 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.532 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.791 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -166.53 -67.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.978 0.418 . . . . 0.0 110.876 -179.714 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.779 HD11 ' CG2' ' A' ' 3' ' ' THR . 0.0 OUTLIER -171.63 -173.71 1.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.93 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.461 ' HG3' ' N ' ' A' ' 64' ' ' ASN . 4.9 tt0 -134.24 151.26 51.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.568 ' HB2' HD12 ' A' ' 44' ' ' LEU . 12.1 t -97.43 102.92 14.0 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.61 0.719 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.456 ' HG3' ' CD1' ' A' ' 16' ' ' ILE . 53.3 Cg_endo -69.8 -11.0 29.9 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.671 2.247 . . . . 0.0 112.335 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.01 -65.57 0.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.832 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.5 p -116.43 23.04 12.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.8 mttt 45.94 50.14 11.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.124 -179.972 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.893 HG21 HD11 ' A' ' 69' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.67 0.271 . . . . 0.0 111.202 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 5' ' ' GLU . 0.1 OUTLIER -128.36 110.99 12.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.969 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 4' ' ' GLU . 6.6 tt0 -35.05 143.52 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.838 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 8' ' ' VAL . 18.0 mt -94.06 115.37 27.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.965 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 6' ' ' LEU . 4.0 mmtp -38.31 -26.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.911 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.501 ' N ' ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -148.54 158.85 39.86 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.577 0.703 . . . . 0.0 111.116 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 131.49 21.22 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.645 2.23 . . . . 0.0 112.338 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.703 ' HD2' HG21 ' A' ' 41' ' ' VAL . 53.5 Cg_endo -69.79 -163.76 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.63 2.22 . . . . 0.0 112.313 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -143.39 49.22 1.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.523 ' HB2' HD12 ' A' ' 21' ' ' LEU . 57.6 mm-40 -115.61 -96.25 0.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER 160.23 136.14 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.845 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 53.0 t -47.79 162.79 0.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -114.99 -27.34 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.145 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.584 HD12 ' HB3' ' A' ' 55' ' ' CYS . 8.3 mt -81.66 -68.48 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.179 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.497 ' SG ' ' CG ' ' A' ' 19' ' ' GLU . 18.3 p -73.36 -11.67 60.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.3 29.99 17.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.497 ' CG ' ' SG ' ' A' ' 17' ' ' CYS . 7.9 mm-40 -110.05 160.25 16.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.896 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.64 138.67 22.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.756 HD21 ' HA ' ' A' ' 51' ' ' PHE . 10.5 mt -66.21 -11.88 52.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.843 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.06 -17.68 16.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.456 HG22 ' O ' ' A' ' 23' ' ' THR . 4.8 m -84.13 29.6 0.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.105 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.431 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . 51.15 176.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.059 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.411 ' CB ' ' HB3' ' A' ' 54' ' ' LEU . 19.7 t -68.25 147.22 52.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -83.79 -21.83 56.89 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.51 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.549 ' HB3' HG23 ' A' ' 31' ' ' THR . 21.3 m-85 -94.48 4.83 53.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.9 0.381 . . . . 0.0 110.929 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -42.66 -23.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 27' ' ' TYR . 0.3 OUTLIER -101.27 -38.0 8.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.824 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.99 -67.22 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.549 HG23 ' HB3' ' A' ' 27' ' ' TYR . 10.8 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.175 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.533 ' CD1' HD12 ' A' ' 57' ' ' LEU . 18.6 mt . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.781 0.324 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.79 11.51 84.53 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.516 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.9 p 37.45 78.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.913 0.387 . . . . 0.0 110.869 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.438 ' HA ' HD12 ' A' ' 39' ' ' LEU . 5.4 tp 177.22 -28.76 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.851 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -80.47 108.12 13.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.703 HG21 ' HD2' ' A' ' 10' ' ' PRO . 2.9 t -74.76 120.19 23.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.59 ' HA3' HD21 ' A' ' 53' ' ' LEU . . . -123.56 132.74 8.6 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.431 ' CG ' ' O ' ' A' ' 43' ' ' HIS . 1.9 p80 -106.53 123.59 48.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.795 0.331 . . . . 0.0 110.877 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.602 HD12 ' CD2' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -63.01 95.06 0.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.4 HG22 ' H ' ' A' ' 45' ' ' THR . 0.0 OUTLIER -38.7 -25.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.145 179.918 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 44' ' ' LEU . 1.7 tptp -53.38 -51.61 61.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 18.7 p -120.47 -34.86 3.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.8 m 74.41 74.55 0.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.493 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 29.4 m170 -115.66 -25.98 7.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.601 ' C ' ' CG ' ' A' ' 51' ' ' PHE . . . 71.2 143.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.075 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.837 ' HB2' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -178.99 -169.08 0.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.945 ' O ' HD22 ' A' ' 56' ' ' LEU . 43.2 m170 -86.29 95.21 9.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.59 HD21 ' HA3' ' A' ' 42' ' ' GLY . 10.0 mt -35.3 -30.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.931 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.551 ' C ' ' CD1' ' A' ' 54' ' ' LEU . 0.3 OUTLIER -69.27 -61.66 1.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.955 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.584 ' HB3' HD12 ' A' ' 16' ' ' ILE . 96.7 m -49.87 -62.84 1.34 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.945 HD22 ' O ' ' A' ' 52' ' ' HIS . 0.2 OUTLIER -40.21 -52.08 2.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.533 HD12 ' CD1' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -45.04 -56.65 4.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.977 179.849 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.54 -55.56 33.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.139 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.442 ' HB2' HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -63.89 -16.33 61.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.631 ' C ' ' CD1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -70.65 -14.43 62.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.918 -179.882 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 31.2 p -60.01 -9.87 3.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -90.55 -46.63 8.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 60' ' ' TYR . . . -142.29 -174.47 14.89 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.521 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.474 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 3.4 t-20 48.1 53.66 11.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.92 0.391 . . . . 0.0 110.861 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.579 ' HA ' ' CE2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -94.15 106.7 18.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.891 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -164.07 -37.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 151.91 73.99 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.491 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.67 ' C ' HD13 ' A' ' 69' ' ' LEU . 0.6 OUTLIER 168.65 -92.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.955 0.407 . . . . 0.0 110.894 -179.697 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.893 HD11 HG21 ' A' ' 3' ' ' THR . 0.0 OUTLIER 178.11 -173.34 0.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.922 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.491 ' N ' ' HB2' ' A' ' 60' ' ' TYR . 9.2 tp60 -130.25 143.29 50.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.45 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 6.4 t -76.35 111.45 15.55 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.626 0.727 . . . . 0.0 110.938 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.577 ' HD3' HD12 ' A' ' 56' ' ' LEU . 52.9 Cg_endo -69.76 -7.74 21.82 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.668 2.246 . . . . 0.0 112.32 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.433 ' HB3' ' ND1' ' A' ' 49' ' ' HIS . 0.4 OUTLIER -82.13 -82.56 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.858 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 75' ' ' LYS . 20.2 p -99.85 34.14 2.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.856 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 74' ' ' CYS . 0.0 OUTLIER 37.0 43.56 0.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.911 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.433 ' CG2' ' HB3' ' A' ' 46' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.129 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.741 ' HA ' HG23 ' A' ' 45' ' ' THR . 0.5 OUTLIER . . . . . 0 N--CA 1.456 -0.135 0 CA-C-O 120.786 0.327 . . . . 0.0 111.148 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.449 ' N ' ' OG1' ' A' ' 3' ' ' THR . 6.1 tt0 -111.3 119.41 38.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.871 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 4' ' ' GLU . 6.3 tt0 -34.97 133.57 0.28 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.952 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.569 HD23 ' N ' ' A' ' 6' ' ' LEU . 3.1 mt -82.57 -25.85 32.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.98 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.508 ' CB ' ' O ' ' A' ' 6' ' ' LEU . 4.3 tttt 83.43 -34.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -132.82 144.34 52.46 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.708 0.766 . . . . 0.0 111.125 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.459 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 54.0 Cg_endo -69.82 110.32 2.54 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 122.606 2.204 . . . . 0.0 112.382 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.487 ' HG2' HD12 ' A' ' 21' ' ' LEU . 53.6 Cg_endo -69.7 -164.72 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.673 2.249 . . . . 0.0 112.321 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -105.14 32.61 4.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -98.25 -38.18 9.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 61.55 130.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.836 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.516 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 46.1 t -44.15 160.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.856 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -119.86 -20.26 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.579 HG22 ' CE1' ' A' ' 27' ' ' TYR . 0.9 OUTLIER -76.56 -66.25 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.153 179.857 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.4 p -81.3 -3.61 53.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.829 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 54.38 53.08 11.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -133.34 -177.74 4.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.821 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -76.17 132.31 39.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.615 HD13 HG11 ' A' ' 41' ' ' VAL . 8.2 mt -60.18 -10.05 4.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 83.3 p -86.81 -45.4 10.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.64 HG22 ' N ' ' A' ' 24' ' ' ALA . 20.0 m -51.3 -89.58 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.64 ' N ' HG22 ' A' ' 23' ' ' THR . . . 170.21 164.91 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.132 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.84 126.27 19.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -71.7 -27.62 70.63 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.49 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.579 ' CE1' HG22 ' A' ' 16' ' ' ILE . 13.7 m-30 -83.92 -0.34 50.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.874 0.369 . . . . 0.0 110.915 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.2 t -57.74 -12.32 2.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -82.35 -22.32 35.58 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.856 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.6 p -123.37 -8.39 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.19 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 42.4 p . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.086 -179.918 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.848 HD13 ' HA ' ' A' ' 54' ' ' LEU . 1.4 mt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.814 0.34 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.553 ' O ' HD23 ' A' ' 39' ' ' LEU . . . 63.99 12.95 51.15 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.454 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.9 t 61.7 59.77 1.73 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.91 0.386 . . . . 0.0 110.903 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.553 HD23 ' O ' ' A' ' 37' ' ' GLY . 0.9 OUTLIER -177.65 57.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.934 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.696 ' HB1' HD12 ' A' ' 53' ' ' LEU . . . -149.55 105.28 3.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.134 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.615 HG11 HD13 ' A' ' 21' ' ' LEU . 32.6 t -102.46 123.14 55.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -151.43 135.82 5.25 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.5 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.449 ' O ' ' C ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -89.75 103.82 16.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.838 0.351 . . . . 0.0 110.839 -179.883 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.759 HD13 ' CG2' ' A' ' 76' ' ' THR . 0.2 OUTLIER -33.59 120.38 0.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.885 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.741 HG23 ' HA ' ' A' ' 3' ' ' THR . 14.3 p -64.06 -10.65 23.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.679 ' HB2' HD22 ' A' ' 44' ' ' LEU . 4.5 mtmm -73.45 -68.26 0.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.469 ' SG ' ' CD2' ' A' ' 49' ' ' HIS . 26.4 p -96.42 -16.35 21.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER 60.39 70.66 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.819 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.711 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 20.8 m170 -115.79 -101.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.844 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.711 ' HB2' ' O ' ' A' ' 49' ' ' HIS . . . 158.32 133.18 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.023 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.626 ' CD2' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -178.99 178.04 0.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.516 ' CE1' ' HB2' ' A' ' 14' ' ' CYS . 22.9 m170 -88.02 103.51 15.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.696 HD12 ' HB1' ' A' ' 40' ' ' ALA . 24.3 mt -36.3 -29.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.848 ' HA ' HD13 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -78.11 -68.47 0.63 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.915 179.896 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 54' ' ' LEU . 57.6 m -35.61 -38.31 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.815 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.626 HD21 ' CD2' ' A' ' 51' ' ' PHE . 0.1 OUTLIER -72.72 -51.48 19.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.679 HD22 ' O ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -39.59 -25.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.91 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 56' ' ' LEU . . . -77.02 -65.46 0.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.492 ' SD ' ' CD1' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -68.97 -8.62 46.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.872 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.541 ' CZ ' ' HG3' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -64.11 -21.47 66.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 -179.792 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.05 -9.41 4.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -90.8 -54.06 4.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -135.62 -167.54 11.33 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.519 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.488 ' ND2' ' C ' ' A' ' 76' ' ' THR . 11.5 t-20 38.77 36.19 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.846 0.355 . . . . 0.0 110.905 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.541 ' HG3' ' CZ ' ' A' ' 60' ' ' TYR . 0.8 OUTLIER -85.64 77.35 9.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.906 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -114.38 -36.7 4.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 156.84 33.46 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.527 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.679 ' O ' HD22 ' A' ' 57' ' ' LEU . 66.1 m -155.06 -87.3 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.848 0.356 . . . . 0.0 110.905 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.611 HD13 ' HB3' ' A' ' 68' ' ' SER . 0.0 OUTLIER -166.88 -173.34 2.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.496 ' N ' ' HB2' ' A' ' 60' ' ' TYR . 66.4 tt0 -123.69 157.63 33.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.48 ' HG ' ' HE1' ' A' ' 51' ' ' PHE . 14.8 t -100.81 115.47 65.28 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.61 0.719 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -10.65 29.07 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.622 2.214 . . . . 0.0 112.369 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.13 -77.87 0.21 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.825 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 76' ' ' THR . 26.2 p -104.48 38.3 1.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.589 ' CD ' ' N ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER 37.74 31.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.828 179.91 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.759 ' CG2' HD13 ' A' ' 44' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.139 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.813 HG22 HD23 ' A' ' 44' ' ' LEU . 2.6 p . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.77 0.319 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 4' ' ' GLU . 0.6 OUTLIER -34.37 93.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 3' ' ' THR . 9.6 tt0 -58.79 158.02 8.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 8' ' ' VAL . 14.3 mt -118.36 122.48 42.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -34.29 -35.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 179.814 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 6' ' ' LEU . 1.4 m -148.04 157.13 43.58 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.625 0.726 . . . . 0.0 111.127 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.415 ' HB3' HG21 ' A' ' 41' ' ' VAL . 53.4 Cg_endo -69.81 125.77 12.5 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.697 2.265 . . . . 0.0 112.258 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.477 ' HD2' HG11 ' A' ' 41' ' ' VAL . 54.3 Cg_endo -69.72 -163.87 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.699 2.266 . . . . 0.0 112.374 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -116.26 32.19 6.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -88.54 -25.12 22.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.7 t70 65.4 128.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.468 ' N ' ' HG ' ' A' ' 21' ' ' LEU . 46.1 t -41.58 163.92 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.832 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -113.83 -24.55 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.139 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.473 HD11 ' HG3' ' A' ' 72' ' ' PRO . 0.6 OUTLIER -76.13 -70.1 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.843 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 18' ' ' MET . 30.0 p -82.07 15.28 2.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.43 ' C ' ' O ' ' A' ' 17' ' ' CYS . 6.5 mtp 35.58 51.69 0.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -130.94 165.27 23.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -56.24 136.72 52.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.961 HD21 ' HA ' ' A' ' 51' ' ' PHE . 13.7 mt -68.78 -2.0 8.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.925 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -113.68 12.53 18.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.2 p -116.92 26.87 9.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.101 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 60.07 170.75 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.418 ' HA ' ' ND1' ' A' ' 52' ' ' HIS . 2.9 t -71.6 144.9 49.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.887 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -82.56 -26.15 47.8 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.513 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.422 ' CZ ' HG22 ' A' ' 16' ' ' ILE . 10.3 m-30 -82.99 4.66 25.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.879 0.371 . . . . 0.0 110.916 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 91.4 p -60.63 -10.24 4.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.899 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -86.1 -11.46 52.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -129.35 -53.47 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.144 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.616 ' OG1' HD11 ' A' ' 54' ' ' LEU . 27.0 p . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.589 HD13 ' C ' ' A' ' 53' ' ' LEU . 44.6 mt . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.855 0.36 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 141.92 -20.86 2.5 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.484 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 43.1 t 63.61 20.34 12.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.896 0.379 . . . . 0.0 110.87 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -153.25 23.13 0.55 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.445 ' CB ' HD12 ' A' ' 53' ' ' LEU . . . -110.59 139.47 45.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.477 HG11 ' HD2' ' A' ' 10' ' ' PRO . 3.4 t -119.03 124.14 72.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.16 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.404 ' C ' ' OG1' ' A' ' 3' ' ' THR . . . -157.66 140.95 7.4 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.54 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.598 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 0.3 OUTLIER -94.24 115.44 27.69 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.741 0.305 . . . . 0.0 110.914 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.813 HD23 HG22 ' A' ' 3' ' ' THR . 1.2 mt -36.49 139.35 0.18 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.858 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 p -82.58 37.49 0.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.46 -57.22 1.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.59 ' SG ' ' CD2' ' A' ' 49' ' ' HIS . 6.6 p -110.67 -16.51 13.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 1.5 m 83.04 26.43 0.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.606 ' O ' ' CZ ' ' A' ' 51' ' ' PHE . 12.1 m170 -89.46 126.33 35.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.578 ' C ' ' CG ' ' A' ' 51' ' ' PHE . . . -89.6 160.91 16.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.146 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.961 ' HA ' HD21 ' A' ' 21' ' ' LEU . 0.0 OUTLIER 170.38 -170.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 -179.908 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.63 ' O ' HD12 ' A' ' 56' ' ' LEU . 36.5 m170 -87.52 97.68 10.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.907 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.589 ' C ' HD13 ' A' ' 36' ' ' LEU . 38.4 mt -35.93 -30.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.939 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.843 ' O ' HD12 ' A' ' 54' ' ' LEU . 0.3 OUTLIER -69.9 -58.85 3.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 179.918 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.527 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 75.0 m -49.45 -47.46 48.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.845 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.842 HD21 ' CE2' ' A' ' 51' ' ' PHE . 5.6 mp -55.66 -57.77 10.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.412 ' HB2' HD11 ' A' ' 36' ' ' LEU . 15.8 tp -45.68 -26.87 0.69 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.991 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 55' ' ' CYS . . . -69.52 -66.56 0.57 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.059 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.507 ' CE ' ' O ' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -74.13 -8.38 55.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.55 ' CD1' ' HA ' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -56.13 -28.69 58.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.004 -179.882 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.475 ' N ' ' CD2' ' A' ' 60' ' ' TYR . 0.1 OUTLIER -60.64 -9.36 3.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.911 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 -83.59 -49.57 9.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.485 ' N ' ' OE1' ' A' ' 70' ' ' GLN . . . -138.25 -172.03 12.4 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.491 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.465 ' ND2' ' HA ' ' A' ' 70' ' ' GLN . 3.1 m-20 63.28 -74.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.939 0.399 . . . . 0.0 110.895 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.52 ' HA ' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER 41.79 82.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -151.09 59.13 0.91 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 45.36 51.24 9.53 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.447 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.599 ' C ' HD13 ' A' ' 69' ' ' LEU . 58.7 m -168.71 -96.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.863 0.363 . . . . 0.0 110.814 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.599 HD13 ' C ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -172.55 -174.05 1.12 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.951 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.627 ' O ' HD23 ' A' ' 56' ' ' LEU . 52.7 tt0 -129.18 158.0 40.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.949 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.427 ' HB3' ' C ' ' A' ' 76' ' ' THR . 4.9 t -88.96 111.47 44.94 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.653 0.739 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.576 ' HD2' ' CE1' ' A' ' 51' ' ' PHE . 53.9 Cg_endo -69.73 -16.53 37.71 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.638 2.225 . . . . 0.0 112.369 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.403 ' HB3' ' ND1' ' A' ' 49' ' ' HIS . 0.3 OUTLIER -68.73 -81.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.89 -179.847 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 19.2 p -99.37 29.71 3.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt 48.21 45.97 19.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.427 ' C ' ' HB3' ' A' ' 71' ' ' CYS . 2.5 m . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.79 ' HA ' HG23 ' A' ' 45' ' ' THR . 0.5 OUTLIER . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.728 0.299 . . . . 0.0 111.11 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 5' ' ' GLU . 0.5 OUTLIER -112.58 111.32 22.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 4' ' ' GLU . 22.9 tt0 -35.15 137.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.826 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.823 HD11 ' CD2' ' A' ' 43' ' ' HIS . 16.9 mt -86.63 -24.81 25.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.458 ' CB ' ' O ' ' A' ' 6' ' ' LEU . 5.6 tttt 81.38 -14.61 0.8 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.5 m -144.37 145.85 30.72 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.638 0.732 . . . . 0.0 111.088 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.472 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 54.4 Cg_endo -69.74 110.38 2.54 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.578 2.185 . . . . 0.0 112.37 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.608 ' HG2' HD13 ' A' ' 21' ' ' LEU . 53.8 Cg_endo -69.77 -163.83 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.685 2.257 . . . . 0.0 112.327 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -119.81 63.66 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.526 ' HB2' HD12 ' A' ' 21' ' ' LEU . 5.3 mm-40 -121.88 -25.43 5.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 65.38 123.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.572 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 42.6 t -46.02 153.03 0.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -111.09 -19.04 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.07 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.595 HD11 ' CD2' ' A' ' 56' ' ' LEU . 1.0 OUTLIER -77.73 -67.24 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.15 179.841 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.3 p -81.97 -6.66 59.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.67 43.64 15.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.959 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -122.93 159.32 28.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.973 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.88 135.96 35.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.608 HD13 ' HG2' ' A' ' 10' ' ' PRO . 7.2 mt -68.53 -7.35 31.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.46 -47.57 13.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.878 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.538 ' O ' ' HB2' ' A' ' 24' ' ' ALA . 10.7 p -55.64 -89.64 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.129 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.538 ' HB2' ' O ' ' A' ' 23' ' ' THR . . . 171.78 177.56 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.1 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.64 135.01 56.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -83.14 -20.35 60.95 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.497 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.5 m-30 -90.71 1.68 56.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.875 0.369 . . . . 0.0 110.835 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.5 t -52.72 -18.09 1.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.848 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.99 -36.59 81.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.493 HG13 ' O ' ' A' ' 30' ' ' VAL . 3.1 p -165.69 86.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.123 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.781 HD11 HD23 ' A' ' 57' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.035 0 CA-C-O 120.852 0.358 . . . . 0.0 110.929 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -91.32 19.96 43.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.489 ' O ' ' HB1' ' A' ' 24' ' ' ALA . 10.7 p 60.92 50.23 5.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.887 0.375 . . . . 0.0 110.857 -179.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.404 ' CG ' ' O ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -164.15 49.97 0.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -149.96 151.77 33.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.442 HG21 ' HA ' ' A' ' 9' ' ' PRO . 0.1 OUTLIER -139.83 135.11 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -151.64 122.89 1.4 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.488 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.823 ' CD2' HD11 ' A' ' 6' ' ' LEU . 7.8 m170 -81.22 100.16 8.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.784 0.326 . . . . 0.0 110.821 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.599 HD23 HG22 ' A' ' 76' ' ' THR . 2.3 tp -34.27 118.62 0.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.919 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.79 HG23 ' HA ' ' A' ' 3' ' ' THR . 41.0 p -58.79 -26.17 63.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.192 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.87 -64.73 0.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.519 ' SG ' ' CD2' ' A' ' 49' ' ' HIS . 32.1 p -100.38 -36.68 9.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 44' ' ' LEU . 1.5 t 81.89 68.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.709 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 26.6 m170 -115.59 -103.33 0.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.709 ' HB2' ' O ' ' A' ' 49' ' ' HIS . . . 158.98 134.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.834 ' CD1' HD11 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -174.53 168.31 3.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.572 ' CE1' ' HB2' ' A' ' 14' ' ' CYS . 34.1 m170 -76.27 100.44 5.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.841 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 52' ' ' HIS . 26.6 mt -36.14 -30.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.96 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.509 ' HA ' HD13 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -73.48 -70.16 0.39 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.976 179.887 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 89.1 m -42.37 -29.12 0.24 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.834 HD11 ' CD1' ' A' ' 51' ' ' PHE . 7.0 mt -76.38 -49.19 17.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.829 HD22 ' O ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -44.25 -21.67 0.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.894 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 56' ' ' LEU . . . -77.92 -66.92 0.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.048 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.456 ' CE ' ' HB3' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -60.61 -38.22 83.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.585 ' CD2' ' HA ' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -43.52 -22.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 -179.857 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.533 ' N ' ' CD1' ' A' ' 60' ' ' TYR . 24.3 p -48.45 -29.65 4.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.947 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -97.64 -70.38 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.837 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.516 ' O ' ' N ' ' A' ' 65' ' ' LYS . . . -67.87 174.91 28.25 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.465 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.493 ' ND2' ' OE1' ' A' ' 70' ' ' GLN . 27.3 m-20 34.23 -92.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.871 0.367 . . . . 0.0 110.887 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.579 ' HA ' ' CE2' ' A' ' 60' ' ' TYR . 10.3 tttp 52.32 71.89 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.47 3.93 2.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.433 ' O ' ' CB ' ' A' ' 68' ' ' SER . . . 122.79 63.56 0.21 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.539 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.829 ' O ' HD22 ' A' ' 57' ' ' LEU . 0.5 OUTLIER 165.66 -83.63 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.848 0.356 . . . . 0.0 110.857 -179.717 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.619 HD13 ' C ' ' A' ' 68' ' ' SER . 0.0 OUTLIER 177.46 -172.4 0.11 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.572 ' O ' HD13 ' A' ' 56' ' ' LEU . 4.4 tp60 -127.01 157.7 38.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.501 ' HG ' ' HE2' ' A' ' 51' ' ' PHE . 6.0 t -91.81 112.12 53.03 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.619 0.723 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.587 ' HD3' HD22 ' A' ' 56' ' ' LEU . 53.8 Cg_endo -69.75 -8.23 23.08 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.659 2.239 . . . . 0.0 112.393 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.28 -81.84 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 76' ' ' THR . 21.2 p -100.38 33.88 2.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.882 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 74' ' ' CYS . 0.8 OUTLIER 37.19 31.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.599 HG22 HD23 ' A' ' 44' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.134 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.973 ' CG2' HD22 ' A' ' 44' ' ' LEU . 19.1 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.767 0.318 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -116.79 109.9 17.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.434 ' O ' HD23 ' A' ' 6' ' ' LEU . 0.6 OUTLIER -47.38 157.69 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.884 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 8' ' ' VAL . 1.8 mt -130.56 106.5 8.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 6' ' ' LEU . 15.9 mttt -37.32 -28.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' A' ' 6' ' ' LEU . 3.8 m -137.36 144.25 44.69 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.56 0.695 . . . . 0.0 111.173 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 126.32 13.18 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.739 2.293 . . . . 0.0 112.304 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.475 ' HG2' ' CD1' ' A' ' 21' ' ' LEU . 53.8 Cg_endo -69.81 -163.87 0.12 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.718 2.279 . . . . 0.0 112.336 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -116.52 60.28 0.73 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -121.38 -21.56 6.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 65.21 131.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.8 t -50.78 152.23 2.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.83 -12.94 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.083 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.736 HG22 ' CE2' ' A' ' 27' ' ' TYR . 9.9 mm -78.88 -70.21 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 28.0 p -86.94 2.26 49.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.919 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 55.36 42.43 30.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 20' ' ' LYS . 6.6 mm-40 -125.98 144.28 50.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -34.39 139.65 0.08 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.698 HD21 ' HA ' ' A' ' 51' ' ' PHE . 6.8 mt -64.85 -5.86 6.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -105.22 -10.38 17.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.412 ' OG1' ' CB ' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -87.91 24.43 1.78 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.198 -179.907 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.544 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . 54.7 168.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.085 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.495 ' CB ' ' SG ' ' A' ' 55' ' ' CYS . 0.4 OUTLIER -64.58 136.45 57.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 -179.758 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -84.96 -18.43 61.23 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.432 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.736 ' CE2' HG22 ' A' ' 16' ' ' ILE . 10.5 m-30 -85.7 -12.01 52.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.909 0.385 . . . . 0.0 110.93 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.548 ' HA ' HD21 ' A' ' 54' ' ' LEU . 3.5 t -49.13 -24.23 1.57 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.923 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.02 -34.93 78.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.823 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.2 m -118.29 0.31 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.135 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.873 HG21 ' HB2' ' A' ' 58' ' ' ALA . 2.9 m . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.116 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.895 ' CD2' HD22 ' A' ' 57' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.867 0.365 . . . . 0.0 110.887 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.486 ' O ' ' CB ' ' A' ' 38' ' ' SER . . . 129.65 -72.85 0.47 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.464 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 37' ' ' GLY . 2.9 t 161.02 -20.83 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.901 0.382 . . . . 0.0 110.827 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -115.13 42.57 2.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.85 ' O ' HD12 ' A' ' 53' ' ' LEU . . . -131.78 130.64 42.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.077 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.412 HG11 ' HD2' ' A' ' 10' ' ' PRO . 0.2 OUTLIER -103.27 143.91 14.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.652 ' HA3' HD21 ' A' ' 53' ' ' LEU . . . -125.37 174.71 17.45 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.486 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.446 ' O ' ' C ' ' A' ' 44' ' ' LEU . 3.2 t-160 -154.48 79.66 1.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.813 0.34 . . . . 0.0 110.861 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.973 HD22 ' CG2' ' A' ' 3' ' ' THR . 0.0 OUTLIER -34.61 109.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.404 HG23 ' H ' ' A' ' 45' ' ' THR . 0.6 OUTLIER -75.99 7.12 4.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.187 179.876 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.1 tptt -88.92 -39.74 13.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.964 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.548 ' SG ' ' CD2' ' A' ' 49' ' ' HIS . 7.3 p -125.0 -15.41 6.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 1.5 m 83.33 40.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.558 ' CE1' ' HG ' ' A' ' 73' ' ' SER . 8.1 m170 -111.93 131.78 55.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.606 ' C ' ' CG ' ' A' ' 51' ' ' PHE . . . -106.97 166.04 10.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.131 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 1.021 ' CD2' HD11 ' A' ' 56' ' ' LEU . 0.0 OUTLIER 167.36 166.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 -179.919 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.544 ' CE1' ' O ' ' A' ' 24' ' ' ALA . 48.4 m170 -61.29 100.79 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.85 HD12 ' O ' ' A' ' 40' ' ' ALA . 8.0 mt -37.92 -60.47 0.73 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.563 ' C ' HD12 ' A' ' 54' ' ' LEU . 1.0 OUTLIER -45.5 -67.23 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.495 ' SG ' ' CB ' ' A' ' 25' ' ' SER . 71.6 m -38.49 -45.18 1.02 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 1.021 HD11 ' CD2' ' A' ' 51' ' ' PHE . 10.0 mt -65.36 -57.8 7.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.895 HD22 ' CD2' ' A' ' 36' ' ' LEU . 22.3 tp -37.3 -28.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.961 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.873 ' HB2' HG21 ' A' ' 31' ' ' THR . . . -74.5 -44.55 50.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.097 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.502 ' N ' ' O ' ' A' ' 56' ' ' LEU . 2.3 ppp? -90.23 -7.87 52.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.509 ' C ' ' CD2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -69.66 -16.36 63.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 -179.833 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.48 -10.7 3.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -97.49 -58.02 2.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.892 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 64' ' ' ASN . . . -108.86 177.13 20.31 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.451 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.482 ' O ' ' CE1' ' A' ' 60' ' ' TYR . 20.9 m-20 34.12 57.73 0.62 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.867 0.365 . . . . 0.0 110.9 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.2 105.91 18.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -155.33 -36.47 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 144.36 40.25 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.474 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.74 ' HB2' HD13 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -150.21 -89.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.997 0.427 . . . . 0.0 110.898 -179.828 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.779 HD22 ' C ' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -172.0 -179.65 2.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.909 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.609 ' O ' HD22 ' A' ' 56' ' ' LEU . 10.1 tt0 -135.13 151.63 50.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.472 ' N ' ' HG2' ' A' ' 70' ' ' GLN . 12.7 t -93.94 105.72 18.43 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.624 0.726 . . . . 0.0 110.851 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.538 ' HG3' HD11 ' A' ' 16' ' ' ILE . 54.1 Cg_endo -69.7 -27.68 26.48 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.735 2.29 . . . . 0.0 112.341 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.558 ' HG ' ' CE1' ' A' ' 49' ' ' HIS . 0.3 OUTLIER -50.7 -65.24 0.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.855 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.5 p -114.79 23.55 12.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? 47.03 62.11 2.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.135 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.682 ' CG2' HD11 ' A' ' 69' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 120.775 0.321 . . . . 0.0 111.108 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.13 121.29 38.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.98 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.513 ' HG3' ' HB1' ' A' ' 40' ' ' ALA . 35.4 tt0 -38.97 145.5 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.526 ' HB2' HG13 ' A' ' 41' ' ' VAL . 3.4 mt -107.94 114.04 27.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.79 -13.53 1.81 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.962 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -157.45 159.23 30.92 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.671 0.748 . . . . 0.0 111.028 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 127.71 14.98 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.687 2.258 . . . . 0.0 112.291 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.47 ' O ' ' CB ' ' A' ' 11' ' ' ASP . 54.5 Cg_endo -69.79 -90.84 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.646 2.231 . . . . 0.0 112.386 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.47 ' CB ' ' O ' ' A' ' 10' ' ' PRO . 2.6 m-20 163.13 35.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.802 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.85 -22.89 10.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.428 ' C ' ' HG ' ' A' ' 21' ' ' LEU . 1.4 m-20 64.88 129.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.822 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.59 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 49.4 t -42.12 163.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.48 HD13 ' C ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -119.34 -24.56 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.177 179.874 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.992 HD11 HD23 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -71.33 -66.78 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.887 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 18' ' ' MET . 17.3 p -90.76 22.73 3.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.841 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.432 ' C ' ' O ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER 35.27 43.78 0.14 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.407 ' CB ' ' SG ' ' A' ' 17' ' ' CYS . 16.3 tp10 -118.42 156.63 28.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.426 ' CB ' ' OG1' ' A' ' 23' ' ' THR . 0.0 OUTLIER -52.61 148.11 7.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.95 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.764 HD21 ' CA ' ' A' ' 51' ' ' PHE . 9.8 mt -77.91 4.47 11.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -119.65 -22.13 7.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.426 ' OG1' ' CB ' ' A' ' 20' ' ' LYS . 0.8 OUTLIER -83.97 31.98 0.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.161 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 56.28 176.36 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.501 ' HB3' HD23 ' A' ' 54' ' ' LEU . 1.7 t -75.91 152.94 37.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.806 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -95.67 -16.06 40.84 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.447 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.434 ' O ' ' N ' ' A' ' 29' ' ' ASP . 12.0 m-30 -85.58 -6.64 59.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.874 0.369 . . . . 0.0 110.914 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.6 ' HA ' HD21 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -41.29 -25.48 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.842 -179.867 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 27' ' ' TYR . 0.9 OUTLIER -57.14 -58.95 5.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.852 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.0 t -86.86 -69.17 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.126 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.85 ' OG1' HD11 ' A' ' 54' ' ' LEU . 33.1 p . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 1.017 HD11 HD22 ' A' ' 57' ' ' LEU . 1.1 mt . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.897 0.38 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.7 16.15 5.27 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.3 p 46.31 54.88 7.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.932 0.396 . . . . 0.0 110.86 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -177.42 56.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.861 ' O ' HD12 ' A' ' 53' ' ' LEU . . . -161.27 92.32 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.06 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.526 HG13 ' HB2' ' A' ' 6' ' ' LEU . 0.7 OUTLIER -87.14 131.74 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -141.1 130.98 4.69 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.522 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.445 ' O ' ' ND1' ' A' ' 43' ' ' HIS . 16.3 p80 -79.61 132.89 36.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.771 0.319 . . . . 0.0 110.868 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.726 HD11 HD23 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -69.45 107.66 3.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.915 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 73.6 p -41.0 -29.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.15 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -54.59 -69.81 0.12 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 31.1 p -108.31 -31.39 7.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 44' ' ' LEU . 22.7 m 66.24 83.23 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.837 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.682 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 27.1 m170 -118.79 -27.49 5.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.682 ' HB3' ' O ' ' A' ' 49' ' ' HIS . . . 84.84 138.64 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.101 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.818 ' HB2' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -170.7 -157.14 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.909 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.59 ' CE1' ' HB2' ' A' ' 14' ' ' CYS . 30.8 m170 -111.33 97.54 6.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.861 HD12 ' O ' ' A' ' 40' ' ' ALA . 37.7 mt -35.87 -33.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.913 ' O ' HD12 ' A' ' 54' ' ' LEU . 0.5 OUTLIER -69.2 -48.67 61.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.976 179.805 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.726 ' C ' HD12 ' A' ' 16' ' ' ILE . 26.5 m -69.05 -38.72 79.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.992 HD23 HD11 ' A' ' 16' ' ' ILE . 29.5 mt -61.15 -38.01 84.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 1.017 HD22 HD11 ' A' ' 36' ' ' LEU . 26.9 tp -58.22 -31.29 67.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.953 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.79 -54.94 5.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.9 tmm? -57.51 -40.2 78.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.951 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.657 ' C ' ' CD1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -47.55 -19.9 0.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.977 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.9 p -57.97 -11.95 2.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -97.48 -63.65 1.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 64' ' ' ASN . . . -115.77 -165.41 14.43 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.488 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.487 ' ND2' ' OE1' ' A' ' 70' ' ' GLN . 6.5 m-20 34.34 46.45 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.889 0.376 . . . . 0.0 110.87 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.568 ' HA ' ' CE2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -84.96 80.91 9.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.84 -45.63 1.88 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 150.24 43.92 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.485 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.695 ' C ' HD13 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -154.97 -74.19 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.905 0.384 . . . . 0.0 110.869 -179.723 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.726 HD23 HD11 ' A' ' 44' ' ' LEU . 0.0 OUTLIER 176.47 -173.64 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.934 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.487 ' OE1' ' ND2' ' A' ' 64' ' ' ASN . 4.1 tp60 -132.49 157.95 43.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.473 ' O ' ' N ' ' A' ' 75' ' ' LYS . 39.1 t -91.89 106.53 17.66 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.585 0.707 . . . . 0.0 110.887 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.85 ' HD3' HD22 ' A' ' 56' ' ' LEU . 52.9 Cg_endo -69.83 -8.34 23.35 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.651 2.234 . . . . 0.0 112.32 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.42 ' HB3' ' ND1' ' A' ' 49' ' ' HIS . 28.3 t -81.62 -48.39 11.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 20.5 p -136.92 28.65 2.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 71' ' ' CYS . 14.7 mmtt 48.9 18.5 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.449 ' C ' ' OE1' ' A' ' 70' ' ' GLN . 0.7 OUTLIER . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.766 HG22 HD12 ' A' ' 44' ' ' LEU . 1.7 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.728 0.299 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.566 ' HB3' ' CE1' ' A' ' 43' ' ' HIS . 6.7 tt0 -34.05 93.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.953 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 3' ' ' THR . 3.0 tt0 -58.25 143.3 44.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.811 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 8' ' ' VAL . 14.3 mt -94.7 111.63 23.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.934 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 6' ' ' LEU . 18.5 tttt -36.91 -28.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.605 HG12 ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -145.04 165.88 20.33 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.641 0.734 . . . . 0.0 111.127 179.875 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.605 ' HD2' HG12 ' A' ' 8' ' ' VAL . 54.0 Cg_endo -69.73 132.9 24.36 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.725 2.283 . . . . 0.0 112.339 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.735 ' HG2' HD13 ' A' ' 21' ' ' LEU . 54.4 Cg_endo -69.7 -163.98 0.12 Allowed 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.7 2.266 . . . . 0.0 112.354 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -132.31 46.74 2.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.809 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.522 ' O ' ' CB ' ' A' ' 13' ' ' ASP . 1.5 mp0 -120.78 -97.82 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.522 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 2.5 m-20 159.51 149.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.849 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.468 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 42.7 t -66.54 148.81 51.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.427 HD11 ' HD1' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -97.48 -22.84 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.07 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.531 HD11 ' CD2' ' A' ' 56' ' ' LEU . 1.1 mm -76.8 -70.78 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.081 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 25.4 p -79.53 -8.59 59.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.66 14.51 6.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.875 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -88.43 -178.36 5.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.825 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.553 ' HB2' HG23 ' A' ' 23' ' ' THR . 0.6 OUTLIER -71.55 133.05 45.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.88 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.735 HD13 ' HG2' ' A' ' 10' ' ' PRO . 6.4 mt -63.91 -8.08 10.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.2 t -102.37 -24.45 13.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.629 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 40.2 p -77.87 7.6 5.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.142 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.899 ' HB2' HD23 ' A' ' 39' ' ' LEU . . . 80.5 -176.89 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.11 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.414 ' HA ' ' ND1' ' A' ' 52' ' ' HIS . 18.9 p -81.3 115.36 20.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.11 -20.0 25.99 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.509 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.491 ' HB2' ' CD1' ' A' ' 54' ' ' LEU . 4.4 m-30 -73.64 -16.48 61.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.827 0.346 . . . . 0.0 110.91 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 77.6 p -50.18 -24.25 2.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.814 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.26 -27.23 30.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.607 HG12 ' N ' ' A' ' 31' ' ' THR . 22.6 t -103.68 -80.98 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.083 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.7 HG21 ' HB2' ' A' ' 58' ' ' ALA . 72.5 p . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.762 HD11 ' HG ' ' A' ' 57' ' ' LEU . 2.5 mp . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.902 0.382 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 146.98 -36.76 1.2 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.435 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.435 ' HA ' ' CB ' ' A' ' 54' ' ' LEU . 2.5 p 67.07 14.6 9.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.881 0.372 . . . . 0.0 110.85 -179.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.899 HD23 ' HB2' ' A' ' 24' ' ' ALA . 2.9 mt -149.9 52.9 0.92 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.405 ' HB3' HD12 ' A' ' 53' ' ' LEU . . . -150.92 155.83 39.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.127 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.646 HG11 ' HG3' ' A' ' 10' ' ' PRO . 21.6 t -124.21 131.07 73.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.192 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.41 ' C ' ' OG1' ' A' ' 3' ' ' THR . . . -154.34 139.04 6.5 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.462 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.602 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 16.3 p-80 -95.42 115.94 28.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.867 0.365 . . . . 0.0 110.891 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.806 HD23 HG22 ' A' ' 76' ' ' THR . 9.0 tp -38.02 132.62 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.96 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.401 HG23 ' H ' ' A' ' 45' ' ' THR . 0.1 OUTLIER -75.44 2.58 11.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.76 -46.35 7.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.416 ' HB2' ' NE2' ' A' ' 49' ' ' HIS . 9.3 p -115.58 -16.82 11.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.408 ' OG ' ' C ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER 59.16 72.94 0.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.758 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.717 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 21.6 m170 -117.29 -101.11 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.717 ' HB2' ' O ' ' A' ' 49' ' ' HIS . . . 158.79 130.88 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.929 ' CD2' HD11 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -177.29 169.88 2.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.796 -179.928 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.485 ' CE1' ' O ' ' A' ' 24' ' ' ALA . 31.6 m170 -74.7 101.56 4.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.836 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 52' ' ' HIS . 5.8 mt -36.11 -48.68 0.62 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.73 HD13 ' N ' ' A' ' 55' ' ' CYS . 2.2 tm? -56.87 -70.06 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.73 ' N ' HD13 ' A' ' 54' ' ' LEU . 57.7 m -35.69 -46.26 0.42 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.929 HD11 ' CD2' ' A' ' 51' ' ' PHE . 6.8 mt -60.42 -56.41 21.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.762 ' HG ' HD11 ' A' ' 36' ' ' LEU . 2.8 tm? -46.04 -20.62 0.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.7 ' HB2' HG21 ' A' ' 31' ' ' THR . . . -75.14 -66.45 0.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.061 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.8 ptm -75.27 -8.46 56.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.94 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.561 ' CD2' ' HA ' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -57.31 -25.36 59.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.97 -179.899 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -9.21 3.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.921 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -88.2 -54.36 4.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -134.25 -171.03 12.44 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.478 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 76' ' ' THR . 7.1 t-20 69.88 -69.28 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.851 0.358 . . . . 0.0 110.89 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.469 ' HA ' ' CE2' ' A' ' 60' ' ' TYR . 9.4 mmmt 34.34 87.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -160.95 57.41 0.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 44.67 51.21 8.15 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.506 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.547 ' C ' HD13 ' A' ' 69' ' ' LEU . 58.3 m -168.26 -98.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.924 0.392 . . . . 0.0 110.832 -179.739 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.607 HD21 HD13 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -172.33 -174.01 1.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.606 ' O ' HD13 ' A' ' 56' ' ' LEU . 4.1 tp-100 -115.28 157.75 23.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.438 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 43.4 t -98.18 111.7 60.18 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.644 0.735 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.818 ' HD3' HD22 ' A' ' 56' ' ' LEU . 53.0 Cg_endo -69.86 3.92 2.54 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.612 2.208 . . . . 0.0 112.341 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.565 ' HG ' ' CE1' ' A' ' 49' ' ' HIS . 0.0 OUTLIER -100.69 -72.22 0.68 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 -179.857 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 76' ' ' THR . 20.2 p -111.28 30.19 7.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 74' ' ' CYS . 0.1 OUTLIER 33.65 34.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.927 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.806 HG22 HD23 ' A' ' 44' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.183 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . 0.469 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 5.8 p30 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.83 0.348 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.561 ' CE1' ' O ' ' A' ' 67' ' ' GLY . 0.1 OUTLIER -108.39 2.61 22.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.961 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.513 HG22 HD23 ' A' ' 44' ' ' LEU . 1.1 p -124.34 135.08 53.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.158 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.568 ' HB3' ' CE1' ' A' ' 43' ' ' HIS . 36.7 tt0 -38.21 92.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.62 ' O ' HD23 ' A' ' 6' ' ' LEU . 15.0 tt0 -52.63 160.61 0.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.629 HD21 ' HD2' ' A' ' 43' ' ' HIS . 18.0 mt -124.69 112.71 17.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.949 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 6' ' ' LEU . 2.9 tptt -37.33 -28.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.955 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.495 ' N ' ' O ' ' A' ' 6' ' ' LEU . 2.7 m -143.96 146.93 36.15 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.641 0.734 . . . . 0.0 111.13 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.708 ' HB3' HG21 ' A' ' 41' ' ' VAL . 54.3 Cg_endo -69.81 130.49 19.37 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.698 2.265 . . . . 0.0 112.325 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.763 ' HD2' HG11 ' A' ' 41' ' ' VAL . 53.6 Cg_endo -69.75 -163.84 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.701 2.268 . . . . 0.0 112.307 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -114.15 22.96 13.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -83.91 -21.5 31.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 64.29 136.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.591 ' C ' HD13 ' A' ' 15' ' ' ILE . 13.5 t -49.88 166.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.668 HG21 ' HA ' ' A' ' 73' ' ' SER . 0.0 OUTLIER -123.9 -14.52 5.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.13 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.562 HG22 ' CE2' ' A' ' 27' ' ' TYR . 0.7 OUTLIER -81.29 -66.23 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.046 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.0 p -85.85 -4.81 59.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.964 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.4 mtp 58.65 45.26 16.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -125.17 161.43 26.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.6 mttp -52.96 132.12 36.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.523 HD21 ' HA ' ' A' ' 51' ' ' PHE . 6.4 mt -65.18 -5.49 6.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -87.8 -44.36 11.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.404 ' O ' ' HB2' ' A' ' 24' ' ' ALA . 0.6 OUTLIER -55.11 -93.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.143 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.404 ' HB2' ' O ' ' A' ' 23' ' ' THR . . . 178.91 -176.78 0.25 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 t -66.42 132.1 47.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -79.12 -26.82 57.2 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.533 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.592 ' HB3' HG23 ' A' ' 31' ' ' THR . 13.1 m-30 -84.53 -3.35 58.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.848 0.356 . . . . 0.0 110.916 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.21 -25.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.91 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 27' ' ' TYR . 4.0 m-20 -63.07 -59.02 5.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.819 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -127.96 91.17 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.592 HG23 ' HB3' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -149.26 144.12 26.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.199 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.42 ' CG ' ' O ' ' A' ' 32' ' ' ASP . 6.3 p-10 -84.15 50.4 1.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.887 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.535 ' HB3' HD13 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -63.21 127.71 32.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.761 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.02 -66.27 0.93 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -133.23 6.11 3.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.076 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.732 HD13 ' HB3' ' A' ' 53' ' ' LEU . 2.2 mt -82.57 4.66 23.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.536 ' O ' HD22 ' A' ' 54' ' ' LEU . . . 39.99 -99.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.544 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.0 p 177.31 48.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.926 0.393 . . . . 0.0 110.853 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.4 tp -177.69 49.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.922 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -133.45 112.15 11.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.082 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.763 HG11 ' HD2' ' A' ' 10' ' ' PRO . 13.0 t -96.03 119.19 43.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.101 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -140.68 136.84 7.86 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.629 ' HD2' HD21 ' A' ' 6' ' ' LEU . 30.4 p80 -92.64 108.84 20.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.78 0.324 . . . . 0.0 110.823 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.59 HD13 ' HB2' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -37.95 125.57 1.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.7 p -58.25 -30.07 66.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.59 ' HB2' HD13 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -52.39 -68.1 0.2 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.869 179.859 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.621 ' SG ' HG21 ' A' ' 76' ' ' THR . 10.2 p -96.9 -38.18 9.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 0.3 OUTLIER 82.75 71.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.808 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.701 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 30.7 m170 -117.86 -99.98 0.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.86 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.701 ' HB2' ' O ' ' A' ' 49' ' ' HIS . . . 158.99 133.0 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.19 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 1.008 ' CD2' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -176.58 148.62 0.73 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.91 -179.86 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.661 ' O ' HD12 ' A' ' 56' ' ' LEU . 33.2 m170 -48.55 99.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.83 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.732 ' HB3' HD13 ' A' ' 36' ' ' LEU . 14.4 mt -35.85 -61.42 0.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.853 ' O ' HD12 ' A' ' 54' ' ' LEU . 0.3 OUTLIER -42.22 -58.4 2.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.553 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 66.6 m -43.25 -60.8 1.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 1.008 HD21 ' CD2' ' A' ' 51' ' ' PHE . 5.4 mp -45.46 -58.36 3.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.647 HD12 ' CD1' ' A' ' 60' ' ' TYR . 7.6 tp -41.02 -24.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.553 ' HB3' ' O ' ' A' ' 55' ' ' CYS . . . -70.38 -66.74 0.56 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.067 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.473 ' CE ' ' HG2' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -76.76 -7.87 56.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.647 ' CD1' HD12 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -62.86 -19.51 64.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.885 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.01 -9.19 36.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.844 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.413 ' O ' ' NZ ' ' A' ' 65' ' ' LYS . 1.1 t-20 -91.53 -55.58 3.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.959 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 64' ' ' ASN . . . -119.44 -167.74 13.76 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.433 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.481 ' ND2' ' HA ' ' A' ' 70' ' ' GLN . 5.4 m-20 35.81 53.95 0.89 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.935 0.398 . . . . 0.0 110.855 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.413 ' NZ ' ' O ' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -88.98 104.45 16.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 179.887 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -157.01 -47.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.561 ' O ' ' CE1' ' A' ' 2' ' ' TYR . . . 162.37 32.45 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.496 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.587 ' C ' HD13 ' A' ' 69' ' ' LEU . 21.2 p -152.5 -95.55 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.869 0.366 . . . . 0.0 110.877 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.643 ' HA ' ' CD2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER 177.32 174.83 0.44 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.695 ' O ' HD23 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -110.81 157.59 19.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.968 179.93 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.539 ' SG ' ' CZ ' ' A' ' 51' ' ' PHE . 5.5 t -85.2 114.86 58.54 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.54 0.686 . . . . 0.0 110.91 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.471 ' HG2' ' CG1' ' A' ' 15' ' ' ILE . 54.1 Cg_endo -69.77 -26.84 27.11 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.654 2.236 . . . . 0.0 112.385 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.668 ' HA ' HG21 ' A' ' 15' ' ' ILE . 9.4 t -57.95 -71.79 0.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 21.1 p -107.83 31.35 5.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.95 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.5 mmtm 48.48 33.11 3.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.621 HG21 ' SG ' ' A' ' 47' ' ' CYS . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.808 0.337 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.53 ' CE2' ' HB2' ' A' ' 68' ' ' SER . 0.0 OUTLIER -111.14 -3.03 15.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.997 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.43 ' HB ' ' C ' ' A' ' 43' ' ' HIS . 0.1 OUTLIER -108.47 119.46 39.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.146 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 5' ' ' GLU . 4.8 tt0 -84.83 107.59 17.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 4' ' ' GLU . 8.8 tt0 -35.06 133.47 0.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.514 HD23 ' N ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -85.89 103.03 14.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.947 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -37.31 -28.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.837 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.495 ' N ' ' O ' ' A' ' 6' ' ' LEU . 0.9 OUTLIER -136.01 144.09 46.88 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.662 0.744 . . . . 0.0 111.104 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 138.83 38.48 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.656 2.238 . . . . 0.0 112.325 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 11' ' ' ASP . 53.3 Cg_endo -69.69 -34.36 14.97 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.748 2.299 . . . . 0.0 112.331 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 10' ' ' PRO . 1.1 t0 83.0 10.62 0.55 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.487 ' O ' ' CB ' ' A' ' 13' ' ' ASP . 1.7 mm-40 -67.89 -93.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 1.1 t0 161.21 115.89 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.489 ' N ' ' O ' ' A' ' 19' ' ' GLU . 37.3 t -39.44 144.3 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -100.06 -13.97 8.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.14 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.661 HD11 HD23 ' A' ' 56' ' ' LEU . 74.5 mt -84.71 -71.89 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.074 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.46 ' SG ' ' CB ' ' A' ' 19' ' ' GLU . 20.8 p -79.76 3.61 18.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 56.19 25.7 9.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 14' ' ' CYS . 12.3 tp10 -105.43 161.7 14.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.44 ' HB2' HG22 ' A' ' 23' ' ' THR . 5.4 mmtt -58.82 143.9 45.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.861 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.639 HD21 ' HA ' ' A' ' 51' ' ' PHE . 10.7 mt -79.82 12.34 2.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -102.02 -47.48 4.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.861 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.548 HG23 ' H ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -58.32 -90.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.141 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.548 ' H ' HG23 ' A' ' 23' ' ' THR . . . -178.49 165.31 1.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.477 ' CB ' ' HB3' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -54.81 112.06 0.96 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.727 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.52 -21.36 57.47 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.498 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.564 ' CE2' HG22 ' A' ' 16' ' ' ILE . 3.3 m-85 -72.49 -22.14 61.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.834 0.35 . . . . 0.0 110.896 -179.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.0 p -38.31 -28.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -45.05 -64.06 0.79 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 179.909 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.4 m -108.71 -6.12 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.216 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 1.08 HG21 ' HB2' ' A' ' 58' ' ' ALA . 0.5 OUTLIER -115.99 64.81 0.7 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.173 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -96.32 64.24 2.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.22 157.87 0.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.49 33.71 4.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -134.47 -41.64 0.79 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.078 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.564 HD11 ' HB2' ' A' ' 57' ' ' LEU . 72.2 mt -90.95 -78.4 0.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 39' ' ' LEU . . . 101.65 100.84 2.49 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.512 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.511 ' HB3' HD23 ' A' ' 54' ' ' LEU . 4.8 p -40.11 94.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.923 0.392 . . . . 0.0 110.82 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.497 ' CB ' ' O ' ' A' ' 38' ' ' SER . 0.4 OUTLIER 161.31 -21.72 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.956 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.701 ' CB ' HD12 ' A' ' 53' ' ' LEU . . . -82.46 101.23 10.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.07 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.2 t -79.6 116.87 24.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -129.56 141.74 12.91 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.422 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.48 ' CD2' ' HA ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -120.63 127.34 51.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.819 0.342 . . . . 0.0 110.894 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.4 mt -62.54 122.39 15.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 2' ' ' TYR . 16.1 p -80.51 9.23 6.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.148 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.19 -36.54 14.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.592 ' SG ' ' CD2' ' A' ' 49' ' ' HIS . 7.6 p -124.52 -16.23 6.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.885 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 2.1 t 83.42 39.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.592 ' CD2' ' SG ' ' A' ' 47' ' ' CYS . 7.9 m170 -109.51 149.42 29.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.825 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.603 ' C ' ' CG ' ' A' ' 51' ' ' PHE . . . -122.55 163.25 20.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.045 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.991 ' CD1' HD11 ' A' ' 56' ' ' LEU . 0.0 OUTLIER 169.88 173.84 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.856 -179.886 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.508 ' CD2' HD23 ' A' ' 21' ' ' LEU . 30.1 m170 -66.8 111.43 3.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.701 HD12 ' CB ' ' A' ' 40' ' ' ALA . 15.2 mt -43.37 -60.7 1.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.632 HD21 ' O ' ' A' ' 31' ' ' THR . 0.9 OUTLIER -46.32 -65.23 0.58 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.967 179.899 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.491 ' HB3' ' CD1' ' A' ' 16' ' ' ILE . 69.7 m -39.55 -50.77 2.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.991 HD11 ' CD1' ' A' ' 51' ' ' PHE . 7.7 mt -60.21 -58.57 7.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.004 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.564 ' HB2' HD11 ' A' ' 36' ' ' LEU . 9.2 tp -40.26 -39.95 1.04 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.908 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 1.08 ' HB2' HG21 ' A' ' 31' ' ' THR . . . -66.77 -66.23 0.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.076 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.482 ' SD ' HD11 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -64.13 -8.85 13.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.611 ' C ' ' CD2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -67.49 -17.08 64.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 -179.882 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 46.9 t -62.61 -9.37 8.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.966 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -97.02 -57.69 2.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 64' ' ' ASN . . . -118.88 179.65 16.81 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.452 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 63' ' ' GLY . 5.9 t-20 34.43 45.87 0.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.882 0.372 . . . . 0.0 110.904 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.473 ' HA ' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -78.76 68.42 4.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.931 179.872 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.441 ' CB ' ' OH ' ' A' ' 2' ' ' TYR . 0.6 OUTLIER -115.13 31.25 6.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.847 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.84 56.08 20.92 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.492 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.587 ' CB ' HD13 ' A' ' 69' ' ' LEU . 16.1 m -164.26 -73.14 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.857 0.36 . . . . 0.0 110.838 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.708 ' N ' HD13 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -179.89 -178.3 0.43 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.542 ' O ' HD22 ' A' ' 56' ' ' LEU . 30.2 tt0 -137.56 154.19 49.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.468 ' N ' ' HG2' ' A' ' 70' ' ' GLN . 36.6 t -100.04 100.16 10.89 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.606 0.717 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.409 ' HG3' ' CG1' ' A' ' 16' ' ' ILE . 53.9 Cg_endo -69.75 0.37 5.74 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.657 2.238 . . . . 0.0 112.302 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.58 ' HG ' ' CE1' ' A' ' 49' ' ' HIS . 0.1 OUTLIER -85.05 -63.14 1.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.869 -179.843 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.3 p -118.77 18.73 13.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.854 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 44.45 50.81 8.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.945 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.877 0.37 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.852 ' O ' HG23 ' A' ' 45' ' ' THR . 0.2 OUTLIER -105.28 -22.38 13.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.874 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.476 ' HB ' ' N ' ' A' ' 43' ' ' HIS . 0.5 OUTLIER -103.3 136.4 43.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.129 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.414 ' O ' HD23 ' A' ' 6' ' ' LEU . 70.6 tt0 -102.6 115.08 29.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -39.26 145.39 0.11 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.945 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.414 HD23 ' O ' ' A' ' 4' ' ' GLU . 16.4 mt -112.53 139.71 47.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.54 ' O ' HG13 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -59.63 -16.21 24.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 179.844 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.54 HG13 ' O ' ' A' ' 7' ' ' LYS . 0.3 OUTLIER -160.08 153.96 19.47 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.615 0.721 . . . . 0.0 111.114 179.876 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 127.99 15.44 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.752 2.301 . . . . 0.0 112.3 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.803 ' HD2' HG11 ' A' ' 41' ' ' VAL . 53.0 Cg_endo -69.84 -163.83 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.708 2.272 . . . . 0.0 112.321 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.25 50.23 1.33 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -111.87 -26.95 8.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 65.39 128.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.814 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.465 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 47.0 t -40.6 157.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -117.32 -20.54 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.135 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.882 HD11 HD23 ' A' ' 56' ' ' LEU . 0.6 OUTLIER -74.02 -69.97 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.844 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 28.3 p -81.12 2.12 28.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 2.3 mtp 52.36 50.84 17.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.905 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -128.99 -178.38 4.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.3 mttt -70.77 139.99 51.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.647 HD21 ' HA ' ' A' ' 51' ' ' PHE . 7.5 mt -70.58 -0.02 7.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.986 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 p -113.52 -11.76 13.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.554 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 0.8 OUTLIER -86.67 10.64 15.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.083 -179.904 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 23' ' ' THR . . . 75.27 170.78 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.459 ' CB ' ' HB3' ' A' ' 54' ' ' LEU . 0.3 OUTLIER -73.44 124.31 25.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.844 -179.815 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -70.87 -15.05 73.62 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.513 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -77.86 -24.77 48.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.941 0.4 . . . . 0.0 110.909 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.8 t -43.09 -28.1 0.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.65 -45.16 9.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.857 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.523 HG22 ' O ' ' A' ' 30' ' ' VAL . 11.1 p -134.27 2.49 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.127 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.975 HG21 ' HB2' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -118.48 92.37 3.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.198 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 34' ' ' LYS . 37.8 t0 -85.4 15.16 4.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.827 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.693 ' CB ' HD22 ' A' ' 54' ' ' LEU . 19.6 t 42.01 -92.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.048 0.451 . . . . 0.0 110.905 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -176.7 -56.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.928 179.888 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -139.66 5.92 2.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.055 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.767 HD11 HD13 ' A' ' 57' ' ' LEU . 56.2 mt -74.09 -33.27 63.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.24 3.75 13.67 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.492 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 49.61 26.36 1.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.892 0.377 . . . . 0.0 110.876 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.405 ' O ' ' CG ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -127.97 33.24 4.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -141.38 150.43 42.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.046 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.803 HG11 ' HD2' ' A' ' 10' ' ' PRO . 0.5 OUTLIER -116.3 122.11 69.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.409 ' C ' ' HB ' ' A' ' 3' ' ' THR . . . -134.1 135.51 8.04 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.503 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.476 ' N ' ' HB ' ' A' ' 3' ' ' THR . 2.6 p80 -111.86 123.1 49.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.812 0.339 . . . . 0.0 110.771 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.454 ' CD2' ' HB2' ' A' ' 2' ' ' TYR . 0.1 OUTLIER -55.01 129.28 37.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.852 HG23 ' O ' ' A' ' 2' ' ' TYR . 10.5 p -84.3 24.03 1.01 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -108.03 -40.33 5.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.546 ' SG ' ' CD2' ' A' ' 49' ' ' HIS . 7.5 p -124.44 -16.49 6.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.874 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 1.3 t 83.13 31.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.546 ' CD2' ' SG ' ' A' ' 47' ' ' CYS . 8.9 m170 -100.34 124.9 46.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.601 ' C ' ' CG ' ' A' ' 51' ' ' PHE . . . -100.6 163.62 12.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.948 ' CD1' HD11 ' A' ' 56' ' ' LEU . 0.0 OUTLIER 171.11 -179.18 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.524 ' CE1' ' O ' ' A' ' 24' ' ' ALA . 32.8 m170 -73.76 105.8 5.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.579 ' HB3' HD13 ' A' ' 36' ' ' LEU . 22.6 mt -39.24 -51.15 1.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.693 HD22 ' CB ' ' A' ' 33' ' ' SER . 0.1 OUTLIER -56.11 -70.0 0.13 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.572 ' C ' HD12 ' A' ' 16' ' ' ILE . 61.3 m -35.69 -44.41 0.33 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.948 HD11 ' CD1' ' A' ' 51' ' ' PHE . 7.3 mt -67.84 -56.78 7.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.767 HD13 HD11 ' A' ' 36' ' ' LEU . 0.3 OUTLIER -45.97 -25.36 0.54 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.953 179.854 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.975 ' HB2' HG21 ' A' ' 31' ' ' THR . . . -68.73 -65.7 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.102 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.464 ' CE ' ' HB3' ' A' ' 70' ' ' GLN . 0.3 OUTLIER -72.66 -13.69 61.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.832 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.585 ' C ' ' CD2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -55.52 -17.07 4.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.997 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.433 ' N ' ' CD2' ' A' ' 60' ' ' TYR . 42.3 t -61.46 -9.29 5.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -95.57 -56.49 2.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 64' ' ' ASN . . . -123.07 176.43 16.61 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.421 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.452 ' C ' ' O ' ' A' ' 63' ' ' GLY . 2.9 t-20 34.43 51.25 0.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.853 0.359 . . . . 0.0 110.888 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.55 ' HA ' ' CE1' ' A' ' 60' ' ' TYR . 1.7 ttpm? -102.2 70.26 1.18 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.959 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.01 -28.03 7.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.871 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 154.43 56.52 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.462 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.776 ' OG ' HD13 ' A' ' 69' ' ' LEU . 1.6 t -176.12 -91.71 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.902 0.382 . . . . 0.0 110.864 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.776 HD13 ' OG ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -169.42 -173.65 1.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.464 ' HB3' ' CE ' ' A' ' 59' ' ' MET . 64.3 tt0 -124.89 157.53 35.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.958 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.428 ' HA ' ' HD2' ' A' ' 72' ' ' PRO . 16.9 t -104.25 104.17 42.72 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.595 0.712 . . . . 0.0 110.834 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 71' ' ' CYS . 54.4 Cg_endo -69.73 -12.27 32.62 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.732 2.288 . . . . 0.0 112.389 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.432 ' HB3' ' ND1' ' A' ' 49' ' ' HIS . 0.3 OUTLIER -70.49 -56.89 5.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.845 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.5 p -126.78 30.5 5.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.3 mptt 43.44 47.98 6.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.161 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.823 0.344 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.522 ' CE1' ' HB2' ' A' ' 68' ' ' SER . 0.1 OUTLIER -106.97 -19.94 13.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 -179.914 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.423 ' HB ' ' C ' ' A' ' 43' ' ' HIS . 0.1 OUTLIER -117.4 170.63 8.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.098 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 5' ' ' GLU . 4.9 tt0 -140.0 119.99 13.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 4' ' ' GLU . 6.7 tt0 -35.35 144.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.867 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.41 ' C ' ' N ' ' A' ' 8' ' ' VAL . 10.0 mt -105.22 111.11 23.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.5 mmtm -44.63 -22.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.41 ' N ' ' C ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -142.02 160.37 55.68 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.662 0.744 . . . . 0.0 111.099 179.904 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.89 127.98 15.26 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.658 2.239 . . . . 0.0 112.301 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.674 ' CD ' HG11 ' A' ' 41' ' ' VAL . 53.7 Cg_endo -69.79 -34.68 14.0 Favored 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 122.713 2.275 . . . . 0.0 112.375 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 10' ' ' PRO . 2.2 t0 82.94 18.19 0.27 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.497 ' O ' ' CB ' ' A' ' 13' ' ' ASP . 0.3 OUTLIER -77.37 -29.21 53.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.918 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 3.8 t70 82.95 120.34 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.457 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 27.1 t -45.66 162.23 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.82 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -120.5 -16.75 6.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.157 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.577 ' CG2' ' CE1' ' A' ' 27' ' ' TYR . 78.7 mt -80.7 -70.7 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.8 p -82.33 6.39 17.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 19.1 mmm 47.4 63.19 2.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -138.33 176.67 8.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.832 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.7 mtmp? -72.73 133.23 44.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.631 HD21 ' HA ' ' A' ' 51' ' ' PHE . 9.6 mt -67.96 -8.38 36.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.0 t -91.79 -32.79 15.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.788 HG22 ' N ' ' A' ' 24' ' ' ALA . 4.3 m -65.37 -90.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.119 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.788 ' N ' HG22 ' A' ' 23' ' ' THR . . . 175.32 155.61 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.124 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.6 t -45.79 144.67 1.64 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -92.66 -14.54 55.16 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.421 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.577 ' CE1' ' CG2' ' A' ' 16' ' ' ILE . 11.8 m-30 -92.47 0.46 57.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.913 0.387 . . . . 0.0 110.921 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.5 t -52.47 -19.86 2.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.884 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -55.96 -45.35 78.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.851 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.3 t -108.62 -61.94 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.131 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.542 ' HB ' HD11 ' A' ' 54' ' ' LEU . 50.1 p -46.81 -82.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.129 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.455 ' CB ' ' O ' ' A' ' 31' ' ' THR . 12.7 t0 80.35 -12.45 1.04 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.444 ' CB ' HD13 ' A' ' 54' ' ' LEU . 0.0 OUTLIER 56.14 168.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 -179.792 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.598 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -147.28 50.8 1.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.598 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . 168.46 -29.06 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.111 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.584 HD11 ' HB2' ' A' ' 57' ' ' LEU . 2.6 mt -91.99 -60.52 1.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 110.14 139.98 8.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.8 m -76.02 49.12 0.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.886 0.374 . . . . 0.0 110.857 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -179.56 40.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -132.51 124.42 28.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.674 HG11 ' CD ' ' A' ' 10' ' ' PRO . 1.5 t -97.51 134.3 36.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -135.2 133.34 6.67 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.483 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.543 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -107.26 117.54 34.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.803 0.335 . . . . 0.0 110.824 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.818 HD23 ' HB3' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -59.64 115.77 3.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 20.2 p -75.28 2.85 10.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.818 ' HB3' HD23 ' A' ' 44' ' ' LEU . 2.0 tppt? -86.76 -42.73 13.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.947 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.592 ' SG ' ' CD2' ' A' ' 49' ' ' HIS . 7.2 p -124.35 -16.59 6.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 1.7 t 83.26 42.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.834 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.592 ' CD2' ' SG ' ' A' ' 47' ' ' CYS . 8.4 m170 -112.72 125.42 54.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.868 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.574 ' C ' ' CG ' ' A' ' 51' ' ' PHE . . . -96.25 162.48 13.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.98 ' CD1' HD11 ' A' ' 56' ' ' LEU . 0.0 OUTLIER 170.49 169.6 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.862 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.457 ' CE1' ' HB2' ' A' ' 14' ' ' CYS . 27.5 m170 -64.96 104.22 0.83 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.773 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.561 ' HA ' HD12 ' A' ' 56' ' ' LEU . 19.3 mt -38.9 -52.68 1.76 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.565 ' C ' HD12 ' A' ' 54' ' ' LEU . 1.0 OUTLIER -51.47 -69.75 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.907 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.4 ' CB ' HD12 ' A' ' 16' ' ' ILE . 76.4 m -38.11 -45.51 0.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.98 HD11 ' CD1' ' A' ' 51' ' ' PHE . 12.8 mt -63.85 -47.87 79.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.584 ' HB2' HD11 ' A' ' 36' ' ' LEU . 17.2 tp -43.63 -33.07 1.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.37 -66.34 0.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.465 ' SD ' ' N ' ' A' ' 60' ' ' TYR . 3.0 ppp? -56.86 -16.66 7.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.578 ' CE1' ' HA ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -66.56 -14.87 62.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 -179.879 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.3 m -63.23 -10.02 13.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -97.36 -56.85 2.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.965 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.464 ' HA3' ' NE2' ' A' ' 70' ' ' GLN . . . -117.88 -174.47 16.6 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.528 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 76' ' ' THR . 9.2 m-20 34.27 45.88 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.901 0.382 . . . . 0.0 110.941 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.578 ' HA ' ' CE1' ' A' ' 60' ' ' TYR . 2.6 ttpp -87.28 77.69 8.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.844 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.442 ' CB ' ' OH ' ' A' ' 2' ' ' TYR . 1.0 OUTLIER -121.39 -42.0 2.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.835 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 156.84 39.48 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.46 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.804 ' HB3' HD13 ' A' ' 69' ' ' LEU . 58.6 m -155.62 -94.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.874 0.369 . . . . 0.0 110.824 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.804 HD13 ' HB3' ' A' ' 68' ' ' SER . 0.0 OUTLIER -159.45 -173.42 4.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.488 ' N ' ' HB2' ' A' ' 60' ' ' TYR . 50.4 tt0 -134.64 157.7 45.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.948 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.467 ' N ' ' HG2' ' A' ' 70' ' ' GLN . 7.6 t -98.9 101.36 11.96 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.605 0.717 . . . . 0.0 110.935 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.436 ' HB3' ' HE3' ' A' ' 59' ' ' MET . 53.3 Cg_endo -69.79 -6.79 19.45 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.667 2.244 . . . . 0.0 112.352 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.79 -68.4 0.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.6 p -111.54 10.85 21.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? 60.02 51.67 5.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.957 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.458 ' O ' ' ND2' ' A' ' 64' ' ' ASN . 1.4 m . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.114 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.797 0.332 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.843 ' O ' HG23 ' A' ' 45' ' ' THR . 0.0 OUTLIER -100.73 10.15 41.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.969 -179.93 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.885 HG22 ' HA ' ' A' ' 44' ' ' LEU . 50.4 p -114.62 169.16 9.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.111 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -133.26 121.1 21.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -47.22 146.52 1.85 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.579 ' HB2' HG13 ' A' ' 41' ' ' VAL . 0.7 OUTLIER -99.52 123.88 44.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.958 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.688 ' O ' HG13 ' A' ' 8' ' ' VAL . 1.8 tttp -57.24 -18.75 17.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.966 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.688 HG13 ' O ' ' A' ' 7' ' ' LYS . 3.1 m -163.82 147.32 8.1 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.607 0.718 . . . . 0.0 111.175 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.88 110.34 2.56 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.66 2.24 . . . . 0.0 112.33 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -165.39 0.15 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.641 2.227 . . . . 0.0 112.364 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -101.87 40.82 1.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -100.38 -34.96 9.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.813 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.47 ' CA ' ' HG ' ' A' ' 21' ' ' LEU . 55.0 m-20 61.58 132.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.795 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.576 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 53.4 t -39.01 159.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -117.86 -25.03 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.076 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 1.017 HD11 HD23 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -74.74 -66.84 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 18' ' ' MET . 14.5 p -86.57 16.74 4.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.43 ' C ' ' O ' ' A' ' 17' ' ' CYS . 6.7 mtt 35.1 69.06 0.18 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -140.99 -177.39 5.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.9 mtpt -75.18 138.02 41.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.923 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.47 ' HG ' ' CA ' ' A' ' 13' ' ' ASP . 7.0 mt -69.82 -2.79 13.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.3 t -109.94 -10.27 14.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 55.0 p -96.24 34.33 1.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.125 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.413 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . 49.92 178.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.415 ' HA ' ' ND1' ' A' ' 52' ' ' HIS . 0.1 OUTLIER -69.72 145.42 52.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.799 -179.754 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -87.17 -30.92 18.52 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.51 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.436 ' O ' ' N ' ' A' ' 29' ' ' ASP . 11.9 m-30 -73.12 -18.17 61.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.927 0.394 . . . . 0.0 110.925 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.635 ' HA ' HD21 ' A' ' 54' ' ' LEU . 3.1 t -40.09 -27.31 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.853 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 27' ' ' TYR . 0.4 OUTLIER -54.15 -45.98 72.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.437 ' O ' ' C ' ' A' ' 31' ' ' THR . 0.2 OUTLIER -110.46 -62.66 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.172 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.516 ' HB ' HD11 ' A' ' 54' ' ' LEU . 1.3 p -34.78 -78.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.178 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 75.38 -5.4 2.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.45 ' HB3' HD13 ' A' ' 54' ' ' LEU . 0.4 OUTLIER 45.31 -171.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.793 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.7 tttp -148.27 40.62 0.95 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -176.35 -43.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.137 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.874 HD11 HD23 ' A' ' 57' ' ' LEU . 3.7 mt -74.21 -164.38 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.86 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.82 -0.94 5.14 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.507 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.624 ' HB3' HD23 ' A' ' 54' ' ' LEU . 0.4 OUTLIER 68.75 9.12 7.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.943 0.401 . . . . 0.0 110.853 -179.775 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -134.09 27.35 3.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.47 ' O ' HD12 ' A' ' 53' ' ' LEU . . . -132.45 109.49 9.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.066 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.579 HG13 ' HB2' ' A' ' 6' ' ' LEU . 0.9 OUTLIER -96.82 128.0 48.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -139.06 153.93 23.06 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.478 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.415 ' CD2' ' OG ' ' A' ' 48' ' ' SER . 7.2 p-80 -104.34 153.93 20.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.808 0.337 . . . . 0.0 110.852 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.885 ' HA ' HG22 ' A' ' 3' ' ' THR . 0.1 OUTLIER -82.46 118.04 22.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.981 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.843 HG23 ' O ' ' A' ' 2' ' ' TYR . 59.8 p -53.85 -14.74 1.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.14 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.505 ' CB ' HG23 ' A' ' 76' ' ' THR . 3.3 mmmt -71.76 -28.05 63.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 48' ' ' SER . 26.1 p -143.42 -44.34 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 0.3 OUTLIER 83.02 74.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.834 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.589 ' HB2' ' CE1' ' A' ' 51' ' ' PHE . 27.1 m170 -116.73 -24.76 7.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.847 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.6 ' C ' ' CG ' ' A' ' 51' ' ' PHE . . . 73.98 137.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.105 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.804 ' HB2' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -172.95 159.13 3.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.93 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.576 ' CE1' ' HB2' ' A' ' 14' ' ' CYS . 42.1 m170 -60.07 98.79 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.697 ' HA ' HD12 ' A' ' 56' ' ' LEU . 28.8 mt -36.16 -43.97 0.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.784 ' C ' HD12 ' A' ' 54' ' ' LEU . 0.3 OUTLIER -60.1 -67.04 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.462 ' C ' HD12 ' A' ' 16' ' ' ILE . 90.3 m -43.59 -39.19 3.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.926 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 1.017 HD23 HD11 ' A' ' 16' ' ' ILE . 10.5 mt -68.46 -57.34 5.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.874 HD23 HD11 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -37.89 -28.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.868 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 56' ' ' LEU . . . -86.57 -60.62 1.94 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.414 ' HE2' ' HB3' ' A' ' 59' ' ' MET . 1.4 ttp -63.17 -8.53 8.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.507 ' CD2' ' N ' ' A' ' 61' ' ' CYS . 0.0 OUTLIER -78.46 -38.0 42.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.507 ' N ' ' CD2' ' A' ' 60' ' ' TYR . 85.8 m -35.16 -31.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.875 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 60' ' ' TYR . 2.1 m-20 -97.53 -71.74 0.67 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.494 ' O ' ' N ' ' A' ' 65' ' ' LYS . . . -60.27 148.0 44.25 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.514 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.584 ' N ' ' NE2' ' A' ' 70' ' ' GLN . 1.8 m-20 57.18 -80.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.914 0.387 . . . . 0.0 110.877 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 63' ' ' GLY . 0.0 OUTLIER 67.56 122.18 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.897 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -178.93 -47.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.825 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.448 ' N ' ' OH ' ' A' ' 60' ' ' TYR . . . 145.07 45.27 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.516 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.748 ' O ' HD22 ' A' ' 57' ' ' LEU . 13.2 m -158.62 -73.17 0.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.968 0.413 . . . . 0.0 110.861 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.674 ' N ' HD13 ' A' ' 69' ' ' LEU . 0.0 OUTLIER 178.6 -172.91 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.946 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.584 ' NE2' ' N ' ' A' ' 64' ' ' ASN . 3.4 tp-100 -145.79 156.7 43.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.988 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.44 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 18.1 t -89.42 109.2 29.83 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.615 0.722 . . . . 0.0 110.894 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.561 ' HD2' ' CD1' ' A' ' 51' ' ' PHE . 53.9 Cg_endo -69.75 -0.87 7.53 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.637 2.225 . . . . 0.0 112.361 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.441 ' OG ' ' N ' ' A' ' 74' ' ' CYS . 1.1 t -98.61 -87.37 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 76' ' ' THR . 14.5 p -88.18 32.89 0.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 74' ' ' CYS . 0.0 OUTLIER 34.27 33.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.901 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.505 HG23 ' CB ' ' A' ' 46' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.1 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 17.2 p30 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.891 0.377 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.653 ' CD1' ' N ' ' A' ' 2' ' ' TYR . 0.0 OUTLIER -95.6 -14.07 23.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.847 -179.88 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.656 HG22 ' HA ' ' A' ' 44' ' ' LEU . 1.6 p -108.07 141.63 39.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.161 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.667 ' O ' HD23 ' A' ' 6' ' ' LEU . 9.5 tt0 -102.07 107.99 19.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -40.74 138.73 0.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.667 HD23 ' O ' ' A' ' 4' ' ' GLU . 6.3 mt -108.39 120.44 42.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -42.49 -23.52 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.469 HG12 ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -151.43 158.59 34.3 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.55 0.691 . . . . 0.0 111.161 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.469 ' HD2' HG12 ' A' ' 8' ' ' VAL . 54.3 Cg_endo -69.72 135.5 30.7 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.686 2.257 . . . . 0.0 112.4 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.409 ' HD3' HD12 ' A' ' 6' ' ' LEU . 53.9 Cg_endo -69.75 -90.84 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.672 2.248 . . . . 0.0 112.366 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 168.7 33.96 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.887 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.436 ' O ' ' CB ' ' A' ' 13' ' ' ASP . 9.1 tm-20 -101.35 -37.63 8.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.465 ' CA ' ' HG ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER 78.51 127.54 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.503 ' HB2' ' CG ' ' A' ' 52' ' ' HIS . 43.0 t -46.54 147.23 1.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.546 HD11 ' HD1' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -100.92 -23.5 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.168 179.898 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.59 HD11 HD23 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -64.87 -70.01 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 179.826 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' A' ' 18' ' ' MET . 31.5 p -95.19 20.84 8.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.942 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.427 ' C ' ' O ' ' A' ' 17' ' ' CYS . 1.1 ptp 34.58 70.85 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -135.19 -178.34 5.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.6 mttt -80.95 127.54 32.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.853 HD22 HG13 ' A' ' 41' ' ' VAL . 11.6 mt -61.81 -10.02 8.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.1 p -87.44 -38.68 15.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.731 HG22 ' N ' ' A' ' 24' ' ' ALA . 17.2 m -61.26 -92.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.163 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.731 ' N ' HG22 ' A' ' 23' ' ' THR . . . -176.84 177.55 1.31 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.128 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.472 ' CB ' ' HB3' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -71.09 125.66 27.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.899 -179.829 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.16 -0.46 65.81 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.491 ' CZ ' HG22 ' A' ' 16' ' ' ILE . 6.4 m-30 -100.5 -18.86 16.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.862 0.363 . . . . 0.0 110.891 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.22 -21.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.79 -63.71 0.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.857 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -137.69 86.99 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.176 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.414 ' CB ' HD11 ' A' ' 54' ' ' LEU . 0.4 OUTLIER -142.75 134.81 27.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 -179.909 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.93 70.41 10.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.747 ' HB3' HD12 ' A' ' 57' ' ' LEU . 0.7 OUTLIER -120.38 114.88 22.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.732 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.8 mmtp -116.31 33.8 5.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -129.31 -33.04 1.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.087 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.614 HD13 ' HB3' ' A' ' 53' ' ' LEU . 1.5 mt -123.86 143.36 50.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.473 ' O ' ' CB ' ' A' ' 38' ' ' SER . . . -68.04 -82.87 0.15 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.507 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' A' ' 37' ' ' GLY . 0.2 OUTLIER 162.59 -34.23 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.919 0.39 . . . . 0.0 110.867 -179.787 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.883 HD23 ' O ' ' A' ' 39' ' ' LEU . 3.3 tt -89.16 19.93 4.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.609 ' HB3' HD12 ' A' ' 53' ' ' LEU . . . -110.82 151.58 27.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.081 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.853 HG13 HD22 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -120.66 140.9 43.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.062 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.414 ' C ' ' HB ' ' A' ' 3' ' ' THR . . . -142.02 131.46 4.76 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.505 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.535 ' CG ' ' O ' ' A' ' 43' ' ' HIS . 5.4 p80 -102.3 112.2 24.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.815 0.341 . . . . 0.0 110.888 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.802 HD23 ' HB2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -50.55 118.82 3.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.945 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.569 HG23 ' O ' ' A' ' 2' ' ' TYR . 69.1 p -76.85 8.2 3.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.122 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.802 ' HB2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -93.02 -40.8 10.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.591 ' SG ' ' CD2' ' A' ' 49' ' ' HIS . 7.6 p -124.75 -15.63 6.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 1.3 p 84.01 33.46 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.591 ' CD2' ' SG ' ' A' ' 47' ' ' CYS . 7.5 m170 -105.09 137.5 42.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.858 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.601 ' C ' ' CG ' ' A' ' 51' ' ' PHE . . . -111.35 165.39 11.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.965 ' CD2' HD11 ' A' ' 56' ' ' LEU . 0.0 OUTLIER 172.64 -171.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.871 -179.884 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.503 ' CG ' ' HB2' ' A' ' 14' ' ' CYS . 42.1 m170 -82.4 110.76 17.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.935 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.614 ' HB3' HD13 ' A' ' 36' ' ' LEU . 24.2 mt -40.99 -70.12 0.11 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.545 ' C ' ' CD1' ' A' ' 54' ' ' LEU . 0.1 OUTLIER -39.58 -61.19 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 74.0 m -43.51 -53.1 5.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.965 HD11 ' CD2' ' A' ' 51' ' ' PHE . 4.9 mt -60.71 -60.64 3.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.747 HD12 ' HB3' ' A' ' 33' ' ' SER . 2.4 tm? -42.51 -35.32 1.03 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.34 -66.34 0.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.049 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.545 ' HE1' ' OE1' ' A' ' 70' ' ' GLN . 0.1 OUTLIER -70.86 -8.51 53.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.886 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.636 ' C ' ' CD1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -59.4 -14.43 12.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.904 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.444 ' N ' ' CD1' ' A' ' 60' ' ' TYR . 0.5 OUTLIER -69.49 -9.92 55.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.849 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -97.41 -59.47 1.78 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 65' ' ' LYS . . . -105.66 -176.78 23.99 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.528 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.447 ' OD1' ' C ' ' A' ' 76' ' ' THR . 3.5 m-20 40.66 -92.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.913 0.387 . . . . 0.0 110.941 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.569 ' HA ' ' CE2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER 58.09 30.82 19.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 179.89 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.446 ' HB3' ' CZ ' ' A' ' 2' ' ' TYR . 0.4 OUTLIER -72.85 -14.24 61.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.833 179.896 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.443 ' N ' ' OH ' ' A' ' 2' ' ' TYR . . . 123.85 49.25 0.22 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.458 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.542 ' C ' HD13 ' A' ' 69' ' ' LEU . 19.5 p -175.52 -63.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.898 0.38 . . . . 0.0 110.878 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.557 ' C ' ' CD2' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -175.66 -173.69 0.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.546 ' O ' HD22 ' A' ' 56' ' ' LEU . 0.9 OUTLIER -133.98 152.81 52.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.451 ' C ' ' OE1' ' A' ' 70' ' ' GLN . 8.1 t -99.81 100.59 11.48 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.643 0.735 . . . . 0.0 110.871 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 71' ' ' CYS . 53.8 Cg_endo -69.78 -0.66 7.24 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.665 2.243 . . . . 0.0 112.342 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.18 -53.77 6.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.5 p -130.04 5.68 4.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.856 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.3 mptt 54.24 50.14 17.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.447 ' C ' ' OD1' ' A' ' 64' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.15 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . 0.473 ' HB3' ' CD1' ' A' ' 2' ' ' TYR . 1.4 t-20 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.813 0.34 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.812 ' O ' HG23 ' A' ' 45' ' ' THR . 0.0 OUTLIER -98.33 -15.16 19.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.93 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.595 ' CG2' HD11 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -104.22 144.89 30.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.112 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.423 ' O ' HD23 ' A' ' 6' ' ' LEU . 9.8 tt0 -112.55 120.13 40.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -44.97 140.83 2.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.503 HD12 ' HG3' ' A' ' 10' ' ' PRO . 8.8 mt -97.99 113.6 25.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.9 mtmt -54.41 -18.32 4.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.687 HG13 ' HD2' ' A' ' 9' ' ' PRO . 98.9 t -140.52 138.95 19.35 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.588 0.708 . . . . 0.0 111.118 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.687 ' HD2' HG13 ' A' ' 8' ' ' VAL . 53.5 Cg_endo -69.77 110.33 2.53 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.674 2.249 . . . . 0.0 112.349 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.503 ' HG3' HD12 ' A' ' 6' ' ' LEU . 53.5 Cg_endo -69.79 -163.81 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.68 2.253 . . . . 0.0 112.306 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -120.7 20.89 11.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.792 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -67.67 -37.12 81.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.472 ' CA ' ' HG ' ' A' ' 21' ' ' LEU . 0.6 OUTLIER 65.0 129.09 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.934 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.516 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 36.8 t -42.79 160.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.839 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -121.76 -15.97 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.115 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.493 HD12 ' HB3' ' A' ' 55' ' ' CYS . 66.3 mt -82.14 -70.66 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.461 ' SG ' ' CG ' ' A' ' 19' ' ' GLU . 17.4 p -77.8 -1.76 33.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 55.34 53.59 9.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.461 ' CG ' ' SG ' ' A' ' 17' ' ' CYS . 6.5 mm-40 -128.92 -175.63 3.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.856 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.7 mtmt -79.26 139.81 37.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.574 HD21 ' HA ' ' A' ' 51' ' ' PHE . 7.0 mt -64.52 -8.0 12.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.956 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.71 -20.73 13.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.0 p -83.31 35.18 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.101 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.474 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . 51.48 178.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.082 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.71 131.49 34.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -74.71 -10.1 83.0 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.459 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -84.82 -21.23 29.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.87 0.366 . . . . 0.0 110.884 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.1 t -52.16 -17.58 1.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.829 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.5 -51.09 70.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.3 p -123.32 9.26 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 1.0 HG21 ' HB2' ' A' ' 58' ' ' ALA . 1.5 m -119.81 100.37 7.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -100.97 81.89 2.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.826 ' OG ' HD22 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -48.55 174.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.778 -179.733 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.1 pttt -134.16 1.95 3.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.921 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.678 ' HB3' HD13 ' A' ' 36' ' ' LEU . . . -128.5 -49.21 1.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.871 ' N ' HD13 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -101.28 -171.86 2.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.42 161.71 27.32 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.468 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.28 -3.58 31.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.846 0.355 . . . . 0.0 110.803 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.61 12.2 16.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.451 ' CB ' HD12 ' A' ' 53' ' ' LEU . . . -113.75 121.17 43.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.064 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.3 t -99.94 113.42 35.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.212 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -125.27 145.77 15.85 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.45 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 -121.21 123.27 41.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.86 0.362 . . . . 0.0 110.857 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.485 HD22 ' HB2' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -58.05 124.92 20.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.952 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.812 HG23 ' O ' ' A' ' 2' ' ' TYR . 13.2 p -79.1 9.6 4.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.485 ' HB2' HD22 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -87.52 -40.75 14.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.845 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.586 ' SG ' ' CD2' ' A' ' 49' ' ' HIS . 7.6 p -124.46 -16.42 6.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 0.9 OUTLIER 83.37 38.86 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.785 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.586 ' CD2' ' SG ' ' A' ' 47' ' ' CYS . 7.6 m170 -109.85 133.6 52.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.598 ' C ' ' CG ' ' A' ' 51' ' ' PHE . . . -106.71 164.35 12.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.891 ' CD2' HD11 ' A' ' 56' ' ' LEU . 0.0 OUTLIER 171.22 -170.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.805 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.516 ' CE1' ' HB2' ' A' ' 14' ' ' CYS . 32.4 m170 -81.07 108.73 14.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.84 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.451 HD12 ' CB ' ' A' ' 40' ' ' ALA . 34.8 mt -43.24 -47.42 6.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -60.0 -69.0 0.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.856 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.493 ' HB3' HD12 ' A' ' 16' ' ' ILE . 90.1 m -36.61 -48.8 0.72 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.814 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.891 HD11 ' CD2' ' A' ' 51' ' ' PHE . 3.0 mt -65.53 -57.87 7.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.927 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.736 ' HG ' HD21 ' A' ' 36' ' ' LEU . 2.6 tm? -43.33 -31.26 0.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 1.0 ' HB2' HG21 ' A' ' 31' ' ' THR . . . -66.67 -66.31 0.57 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -72.24 -8.44 54.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.592 ' C ' ' CD1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -58.92 -19.05 39.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.9 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.497 ' N ' ' CD1' ' A' ' 60' ' ' TYR . 0.5 OUTLIER -60.12 -13.82 13.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -97.45 -63.61 1.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 65' ' ' LYS . . . -85.83 169.46 42.6 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.49 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 40.18 -92.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.899 0.38 . . . . 0.0 110.917 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.576 ' HA ' ' CE2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER 66.43 31.86 7.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.435 ' CB ' ' OH ' ' A' ' 2' ' ' TYR . 1.6 m-20 -80.85 -21.7 40.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.444 ' N ' ' OH ' ' A' ' 2' ' ' TYR . . . 132.2 52.64 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.51 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.625 ' C ' HD13 ' A' ' 69' ' ' LEU . 1.1 t -171.33 -71.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.365 . . . . 0.0 110.83 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.625 HD13 ' C ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -177.71 -174.69 0.47 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.964 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.474 ' HG2' ' N ' ' A' ' 71' ' ' CYS . 6.7 tt0 -132.14 150.99 52.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.474 ' N ' ' HG2' ' A' ' 70' ' ' GLN . 8.9 t -97.94 102.52 13.82 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.648 0.737 . . . . 0.0 110.866 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.483 ' HG3' ' CG1' ' A' ' 16' ' ' ILE . 53.6 Cg_endo -69.82 -10.27 28.1 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.67 2.247 . . . . 0.0 112.335 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.47 -60.31 2.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.5 p -122.01 20.38 10.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.12 66.39 1.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.916 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . 0.524 ' HB3' ' CD1' ' A' ' 2' ' ' TYR . 7.2 m120 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.804 0.335 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.582 ' CE2' ' HB2' ' A' ' 68' ' ' SER . 0.0 OUTLIER -101.4 -19.23 15.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.912 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.52 HG22 ' HG ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -115.97 141.45 48.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.175 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.777 ' O ' HD23 ' A' ' 6' ' ' LEU . 33.6 tt0 -103.84 98.49 8.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 4' ' ' GLU . 14.1 tt0 -35.08 109.41 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.928 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.777 HD23 ' O ' ' A' ' 4' ' ' GLU . 0.2 OUTLIER -68.45 -11.88 60.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.932 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.556 ' C ' HG22 ' A' ' 8' ' ' VAL . 0.2 OUTLIER 65.62 4.97 3.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 179.891 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.556 HG22 ' C ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -172.06 166.34 3.75 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.613 0.72 . . . . 0.0 111.18 179.867 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.549 ' HD2' HG12 ' A' ' 8' ' ' VAL . 53.6 Cg_endo -69.84 131.74 21.76 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.668 2.245 . . . . 0.0 112.328 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.627 ' CG ' HD13 ' A' ' 21' ' ' LEU . 53.7 Cg_endo -69.78 -90.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.64 2.227 . . . . 0.0 112.373 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.0 p30 174.77 52.28 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.51 ' O ' ' CB ' ' A' ' 13' ' ' ASP . 30.2 mp0 -144.05 -97.48 0.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 4.1 m-20 159.68 144.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.845 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.402 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 34.3 t -53.65 158.43 1.88 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.86 -18.54 7.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.149 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.64 HD12 ' CB ' ' A' ' 55' ' ' CYS . 68.1 mt -83.52 -70.75 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 14.6 p -81.47 3.02 26.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 43.14 64.76 1.11 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -137.92 -172.93 3.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.5 ' HB2' HG23 ' A' ' 23' ' ' THR . 34.7 mttt -73.33 123.03 22.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.627 HD13 ' CG ' ' A' ' 10' ' ' PRO . 7.6 mt -57.91 -11.76 2.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.987 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.6 t -93.37 -41.22 9.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.5 HG23 ' HB2' ' A' ' 20' ' ' LYS . 33.7 p -51.6 -89.01 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.178 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.48 ' HB2' ' O ' ' A' ' 23' ' ' THR . . . 174.22 171.01 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.084 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.4 t -67.83 121.27 15.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -70.09 -6.46 56.91 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.521 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.55 ' CZ ' HG22 ' A' ' 16' ' ' ILE . 8.5 m-30 -92.23 -11.81 34.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.889 0.376 . . . . 0.0 110.899 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.1 -26.04 0.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.823 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.455 ' O ' HG13 ' A' ' 30' ' ' VAL . 2.5 m-20 -45.56 -47.44 14.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.455 HG13 ' O ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -163.95 84.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.539 HG23 ' HB3' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -115.24 -7.94 12.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.9 t70 67.25 24.78 9.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.822 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.46 -65.6 0.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.3 mtmt 39.89 39.85 0.64 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.897 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -136.88 -48.39 0.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.068 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.709 ' CD1' HD22 ' A' ' 57' ' ' LEU . 6.5 mp -62.61 -9.8 10.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.93 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.76 -8.35 66.26 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.514 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.44 ' CB ' HD23 ' A' ' 54' ' ' LEU . 78.1 p 52.0 69.79 0.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.822 0.344 . . . . 0.0 110.786 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.8 tp 174.31 -27.5 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.64 ' CB ' HD12 ' A' ' 53' ' ' LEU . . . -58.59 129.95 44.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.015 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.601 HG11 ' HD3' ' A' ' 10' ' ' PRO . 0.2 OUTLIER -102.31 127.26 56.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.16 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.802 ' HA3' HD21 ' A' ' 53' ' ' LEU . . . -123.58 149.04 16.85 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.474 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.777 ' ND1' ' HB2' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -124.51 95.72 4.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.828 0.347 . . . . 0.0 110.9 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.531 ' CD1' ' CD2' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -53.34 89.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.945 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.502 HG23 ' O ' ' A' ' 2' ' ' TYR . 11.9 p -45.63 -21.18 0.09 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.128 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.39 -46.63 47.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.594 ' SG ' ' CD2' ' A' ' 49' ' ' HIS . 7.7 p -125.07 -14.79 6.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.829 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 1.5 t 84.53 34.34 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.594 ' CD2' ' SG ' ' A' ' 47' ' ' CYS . 6.4 m170 -107.91 120.78 43.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.777 ' HB2' ' ND1' ' A' ' 43' ' ' HIS . . . -96.01 164.35 12.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.912 ' CD1' HD11 ' A' ' 56' ' ' LEU . 0.0 OUTLIER 174.63 -169.83 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.812 -179.916 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.402 ' CE1' ' HB2' ' A' ' 14' ' ' CYS . 27.8 m170 -82.7 105.95 14.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.802 HD21 ' HA3' ' A' ' 42' ' ' GLY . 79.8 mt -42.18 -38.26 1.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.561 ' C ' HD12 ' A' ' 54' ' ' LEU . 0.3 OUTLIER -64.72 -68.61 0.34 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 179.884 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.64 ' CB ' HD12 ' A' ' 16' ' ' ILE . 69.4 m -41.51 -41.38 2.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.912 HD11 ' CD1' ' A' ' 51' ' ' PHE . 7.4 mt -70.33 -58.12 4.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.709 HD22 ' CD1' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -45.49 -23.19 0.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.21 -66.35 0.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.077 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -70.41 -10.91 60.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.579 ' CE1' ' HA ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -56.94 -26.65 59.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.873 -179.825 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.565 ' N ' ' CD2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -45.83 -21.48 0.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.921 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -97.46 -61.73 1.35 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 65' ' ' LYS . . . -58.46 -152.52 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.509 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 76' ' ' THR . 0.7 OUTLIER -52.97 84.83 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.868 0.366 . . . . 0.0 110.887 -179.895 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.579 ' HA ' ' CE1' ' A' ' 60' ' ' TYR . 13.8 ttpt -85.3 79.26 9.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.943 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -130.06 31.99 4.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 75.26 62.02 2.85 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.501 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.582 ' O ' HD12 ' A' ' 57' ' ' LEU . 8.2 m -165.83 -95.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.867 0.365 . . . . 0.0 110.881 -179.732 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.56 ' C ' ' CD2' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -171.97 -173.7 1.18 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.672 ' O ' HD22 ' A' ' 56' ' ' LEU . 47.1 tt0 -136.44 155.1 50.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.469 ' N ' ' HG2' ' A' ' 70' ' ' GLN . 11.9 t -101.28 100.73 14.28 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.615 0.721 . . . . 0.0 110.906 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.481 ' HG3' ' CG1' ' A' ' 16' ' ' ILE . 54.4 Cg_endo -69.72 -5.15 15.49 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.687 2.258 . . . . 0.0 112.377 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.59 -57.93 3.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.797 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.5 p -125.02 12.43 8.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt 63.03 80.82 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.499 ' O ' ' ND2' ' A' ' 64' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.092 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.819 0.343 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.58 ' CE1' ' HB2' ' A' ' 68' ' ' SER . 0.0 OUTLIER -101.37 7.17 42.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.814 ' CG2' HD11 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -130.06 119.55 23.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.146 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.29 111.45 15.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -44.12 148.96 0.37 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.881 HD11 ' CE1' ' A' ' 43' ' ' HIS . 5.7 mt -104.22 -5.05 22.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.835 ' O ' HG13 ' A' ' 8' ' ' VAL . 0.3 OUTLIER 62.37 8.05 2.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 179.819 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.835 HG13 ' O ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER 172.35 162.34 0.26 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.631 0.729 . . . . 0.0 111.166 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.771 ' HA ' HG21 ' A' ' 41' ' ' VAL . 54.0 Cg_endo -69.8 128.93 16.7 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.736 2.291 . . . . 0.0 112.277 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -90.94 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.649 2.233 . . . . 0.0 112.31 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.3 p30 175.57 41.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.707 ' HB3' HD12 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -112.97 -96.96 0.43 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.926 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 0.4 OUTLIER 159.81 145.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.49 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 48.7 t -70.88 141.1 51.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -96.6 -23.72 4.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.609 HG22 ' CZ ' ' A' ' 27' ' ' TYR . 13.7 mt -79.64 -70.56 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.411 ' SG ' ' CB ' ' A' ' 19' ' ' GLU . 14.5 p -79.93 12.51 2.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' ' 17' ' ' CYS . 3.8 mtp 37.72 38.37 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.411 ' CB ' ' SG ' ' A' ' 17' ' ' CYS . 2.1 tp10 -116.14 150.7 37.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -47.87 138.95 8.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.707 HD12 ' HB3' ' A' ' 12' ' ' GLU . 6.2 mt -64.25 -12.74 44.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.56 -20.32 19.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.991 0.424 . . . . 0.0 110.869 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.9 p -83.47 22.37 1.06 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.089 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 56.8 -178.54 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.18 119.31 14.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.806 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -69.86 -21.42 76.66 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.609 ' CZ ' HG22 ' A' ' 16' ' ' ILE . 7.4 m-30 -80.52 -10.74 59.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.929 0.395 . . . . 0.0 110.978 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.7 t -43.21 -27.61 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.849 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.2 -43.65 70.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.7 t -102.89 -46.0 10.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.537 ' HB ' HD11 ' A' ' 54' ' ' LEU . 31.0 p -71.89 101.4 2.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.15 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -107.42 52.8 0.71 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.477 ' OG ' HD13 ' A' ' 54' ' ' LEU . 12.8 p -72.41 136.48 46.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -92.09 -6.11 51.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.946 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -93.02 -37.77 12.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.817 HD21 HD13 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -74.19 -70.52 0.39 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.941 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.435 ' O ' HD23 ' A' ' 39' ' ' LEU . . . 111.65 -14.19 27.27 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.481 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 63.83 23.39 13.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.884 0.373 . . . . 0.0 110.873 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.485 ' O ' HD12 ' A' ' 39' ' ' LEU . 0.6 OUTLIER -155.15 38.28 0.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.951 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -139.8 119.83 13.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.178 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.771 HG21 ' HA ' ' A' ' 9' ' ' PRO . 0.2 OUTLIER -109.5 140.17 29.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.087 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -157.04 128.72 2.22 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.49 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.881 ' CE1' HD11 ' A' ' 6' ' ' LEU . 1.0 OUTLIER -75.42 143.47 42.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.858 0.361 . . . . 0.0 110.914 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.651 HD22 ' HB2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -80.99 103.6 10.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.854 -179.88 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 68.8 p -38.54 -35.39 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.651 ' HB2' HD22 ' A' ' 44' ' ' LEU . 5.9 mttm -51.1 -47.29 61.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.457 ' O ' ' CB ' ' A' ' 48' ' ' SER . 31.3 p -127.11 -46.86 1.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 44' ' ' LEU . 0.3 OUTLIER 79.62 73.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.825 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.678 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 31.0 m170 -114.73 -25.23 8.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.924 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.678 ' HB3' ' O ' ' A' ' 49' ' ' HIS . . . 83.74 133.06 0.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.706 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -173.8 173.54 3.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.571 ' O ' HD13 ' A' ' 56' ' ' LEU . 28.8 m170 -82.69 97.32 8.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.483 ' C ' HD12 ' A' ' 36' ' ' LEU . 35.9 mt -36.25 -43.65 0.37 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.872 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.815 ' N ' HD12 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -57.9 -70.2 0.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.856 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.504 ' C ' HD12 ' A' ' 16' ' ' ILE . 63.3 m -43.97 -29.46 0.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.742 HD23 ' O ' ' A' ' 70' ' ' GLN . 8.7 mp -81.12 -38.7 26.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.965 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.817 HD13 HD21 ' A' ' 36' ' ' LEU . 2.7 tp -60.3 -10.58 4.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -93.0 -36.54 12.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.517 ' HE1' ' O ' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -99.1 -8.52 25.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.576 ' CE1' ' HA ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -64.41 -25.82 68.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 -179.837 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.435 ' N ' ' CD2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -53.42 -15.56 1.09 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -97.51 -67.54 0.84 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 65' ' ' LYS . . . -77.71 176.01 54.0 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.456 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 38.94 -92.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.935 0.398 . . . . 0.0 110.841 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.576 ' HA ' ' CE1' ' A' ' 60' ' ' TYR . 0.5 OUTLIER 70.22 119.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 177.73 -32.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.862 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 143.67 40.65 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.462 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.688 ' HB3' HD13 ' A' ' 69' ' ' LEU . 58.5 m -157.3 -94.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.826 0.346 . . . . 0.0 110.84 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.814 HD11 ' CG2' ' A' ' 3' ' ' THR . 0.0 OUTLIER -164.41 -172.07 2.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.989 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.742 ' O ' HD23 ' A' ' 56' ' ' LEU . 2.4 tt0 -144.1 148.25 34.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.942 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.442 ' N ' ' HG2' ' A' ' 70' ' ' GLN . 5.5 t -80.65 111.28 21.72 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.646 0.736 . . . . 0.0 110.879 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 71' ' ' CYS . 53.1 Cg_endo -69.84 -7.95 22.36 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.651 2.234 . . . . 0.0 112.346 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.31 -87.79 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 18.5 p -86.81 28.81 0.85 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt 45.65 33.66 1.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.5 HG23 ' CB ' ' A' ' 46' ' ' LYS . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.173 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.792 0.33 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.597 ' CD2' ' N ' ' A' ' 2' ' ' TYR . 0.0 OUTLIER -92.13 15.4 13.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 -179.861 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.488 ' CG2' HD11 ' A' ' 69' ' ' LEU . 2.4 p -124.23 155.88 37.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.178 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -128.86 120.55 26.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.429 ' C ' HD23 ' A' ' 6' ' ' LEU . 2.9 tt0 -46.55 142.62 3.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.429 HD23 ' C ' ' A' ' 5' ' ' GLU . 4.9 mt -112.65 127.3 56.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.967 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? -65.1 -17.8 64.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -144.98 147.61 35.48 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.595 0.712 . . . . 0.0 111.178 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.8 125.23 11.88 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.695 2.263 . . . . 0.0 112.338 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.461 ' HG2' ' CD1' ' A' ' 21' ' ' LEU . 54.3 Cg_endo -69.71 -163.8 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.662 2.241 . . . . 0.0 112.357 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.465 ' OD1' ' N ' ' A' ' 11' ' ' ASP . 10.8 p-10 -119.73 90.89 3.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -170.82 -33.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.456 ' CA ' ' HG ' ' A' ' 21' ' ' LEU . 1.6 m-20 65.97 142.59 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.572 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 49.5 t -40.4 161.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.483 ' CG1' ' HG2' ' A' ' 72' ' ' PRO . 0.0 OUTLIER -119.18 -21.47 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.604 ' CD1' HD23 ' A' ' 56' ' ' LEU . 44.8 mt -76.73 -66.57 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.147 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 14.5 p -91.28 12.41 20.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 19.0 mmm 38.67 73.85 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -143.76 169.43 17.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.81 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.76 123.85 19.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.686 HD21 ' HA ' ' A' ' 51' ' ' PHE . 5.5 mt -61.13 -9.96 5.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 p -92.43 -41.38 10.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.602 HG22 ' N ' ' A' ' 24' ' ' ALA . 21.9 m -54.87 -89.86 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.177 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.602 ' N ' HG22 ' A' ' 23' ' ' THR . . . 172.7 158.43 0.11 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.107 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -42.15 146.42 0.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -87.32 -34.06 11.02 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.469 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.49 ' CE2' ' CG2' ' A' ' 16' ' ' ILE . 14.6 m-30 -78.77 1.74 22.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.903 0.382 . . . . 0.0 110.971 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.681 ' HA ' HD21 ' A' ' 54' ' ' LEU . 14.7 t -39.74 -29.35 0.06 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.839 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -48.06 -52.58 19.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.747 HG13 ' O ' ' A' ' 30' ' ' VAL . 13.7 p -176.8 90.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.132 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.755 ' OG1' HD11 ' A' ' 54' ' ' LEU . 0.2 OUTLIER -100.61 -74.92 0.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.468 ' CB ' ' O ' ' A' ' 31' ' ' THR . 1.8 m-20 162.69 35.51 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.821 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.7 m -113.1 149.6 33.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -134.82 1.77 3.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -123.93 -39.83 2.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.15 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.56 HD12 ' HA ' ' A' ' 54' ' ' LEU . 2.1 mt -77.5 -44.58 28.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 40.38 27.56 0.16 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.81 ' HB3' HD23 ' A' ' 54' ' ' LEU . 9.4 p 61.08 174.91 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.864 0.364 . . . . 0.0 110.897 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.486 ' CB ' ' O ' ' A' ' 38' ' ' SER . 0.3 OUTLIER 82.85 29.97 0.09 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.494 ' O ' HD12 ' A' ' 53' ' ' LEU . . . -154.33 123.54 6.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.088 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.9 t -109.5 121.98 63.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -137.87 118.01 1.58 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.455 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.553 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 2.3 p-80 -78.62 140.06 38.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.831 0.348 . . . . 0.0 110.825 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -72.57 97.74 2.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.966 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 44' ' ' LEU . 80.3 p -35.48 -31.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 44' ' ' LEU . 18.4 tptt -49.68 -59.04 4.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.5 ' SG ' ' CD2' ' A' ' 49' ' ' HIS . 28.4 p -118.12 -33.59 4.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.07 79.16 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.841 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.676 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 26.4 m170 -116.17 -30.56 5.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.842 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.676 ' HB3' ' O ' ' A' ' 49' ' ' HIS . . . 84.31 138.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.137 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.849 ' HB2' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -169.98 -159.88 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 -179.881 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.572 ' CE1' ' HB2' ' A' ' 14' ' ' CYS . 39.0 m170 -108.44 102.33 11.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.494 HD12 ' O ' ' A' ' 40' ' ' ALA . 28.2 mt -35.75 -65.66 0.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 1.025 ' O ' HD12 ' A' ' 54' ' ' LEU . 0.3 OUTLIER -44.26 -44.7 8.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.872 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.496 ' HB3' ' CD1' ' A' ' 16' ' ' ILE . 84.8 m -63.86 -50.4 68.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.891 HD22 ' HD3' ' A' ' 72' ' ' PRO . 14.4 mt -52.67 -43.44 65.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.471 HD22 ' CD1' ' A' ' 36' ' ' LEU . 8.2 tp -58.51 -11.05 2.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.447 ' HB2' ' CG2' ' A' ' 31' ' ' THR . . . -93.44 -35.18 13.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.064 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.451 ' CE ' ' HB3' ' A' ' 70' ' ' GLN . 1.8 ppp? -99.3 -8.42 24.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.577 ' CE1' ' HA ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -75.11 -15.48 60.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.984 -179.916 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 26.9 p -63.81 -11.29 25.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -97.43 -59.32 1.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 64' ' ' ASN . . . -113.97 -176.74 19.19 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.449 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.537 ' O ' ' CE1' ' A' ' 60' ' ' TYR . 5.5 m-20 34.39 56.66 0.67 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.903 0.383 . . . . 0.0 110.903 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.577 ' HA ' ' CE1' ' A' ' 60' ' ' TYR . 0.1 OUTLIER -86.05 31.5 0.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.441 ' CB ' ' OH ' ' A' ' 2' ' ' TYR . 0.1 OUTLIER -63.43 -54.77 31.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 155.84 33.53 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.456 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.598 ' CB ' HD13 ' A' ' 69' ' ' LEU . 5.3 m -145.77 -71.95 0.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.812 0.339 . . . . 0.0 110.832 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.643 ' N ' HD13 ' A' ' 69' ' ' LEU . 0.0 OUTLIER 178.44 -172.58 0.13 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.492 ' OE1' ' ND2' ' A' ' 64' ' ' ASN . 4.1 tp60 -133.54 157.47 45.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 72' ' ' PRO . 41.0 t -85.61 110.39 29.32 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.652 0.739 . . . . 0.0 110.897 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.891 ' HD3' HD22 ' A' ' 56' ' ' LEU . 53.1 Cg_endo -69.83 -8.77 24.45 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.6 2.2 . . . . 0.0 112.349 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.41 ' HB3' ' ND1' ' A' ' 49' ' ' HIS . 9.5 t -82.62 -71.77 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.868 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.5 ' O ' ' N ' ' A' ' 76' ' ' THR . 18.4 p -111.39 38.48 2.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.944 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 74' ' ' CYS . 61.9 mmtt 34.64 32.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.818 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.5 ' N ' ' O ' ' A' ' 74' ' ' CYS . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.118 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . 0.401 ' ND2' ' N ' ' A' ' 1' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.844 0.354 . . . . 0.0 110.858 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.557 ' CE1' ' HB3' ' A' ' 68' ' ' SER . 1.7 m-85 -92.28 -19.22 22.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.483 HG22 ' HG ' ' A' ' 44' ' ' LEU . 0.5 OUTLIER -120.86 170.81 9.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.161 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 5' ' ' GLU . 0.0 OUTLIER -139.15 121.39 15.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 4' ' ' GLU . 5.8 tt0 -35.04 141.18 0.07 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.885 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.0 mt -99.95 -10.6 21.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 64.7 5.97 3.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.671 HG23 ' HD2' ' A' ' 9' ' ' PRO . 4.4 p -170.4 138.8 1.38 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.626 0.727 . . . . 0.0 111.167 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.671 ' HD2' HG23 ' A' ' 8' ' ' VAL . 54.2 Cg_endo -69.75 110.32 2.52 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.686 2.257 . . . . 0.0 112.346 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 9' ' ' PRO . 53.9 Cg_endo -69.68 -165.52 0.15 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.763 2.309 . . . . 0.0 112.354 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.87 54.01 0.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.582 ' CB ' ' HB3' ' A' ' 50' ' ' ALA . 10.2 mm-40 -111.31 -37.12 5.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.849 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.401 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 7.9 t70 76.55 127.84 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.824 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.545 ' C ' HD13 ' A' ' 15' ' ' ILE . 11.4 t -55.58 165.55 0.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.545 HD13 ' C ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -120.66 -9.93 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.116 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.423 ' CD1' ' SD ' ' A' ' 59' ' ' MET . 0.6 OUTLIER -88.08 -65.97 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.872 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 28.0 p -85.83 8.18 21.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 2.6 mmm 41.17 41.14 1.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -119.22 155.76 31.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.39 121.65 8.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.933 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.504 HD23 ' NE2' ' A' ' 52' ' ' HIS . 5.9 mt -51.87 -16.67 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.877 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.459 ' HA ' ' CB ' ' A' ' 9' ' ' PRO . 18.9 t -75.63 -48.73 20.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.472 ' O ' ' HB2' ' A' ' 24' ' ' ALA . 38.4 p -51.17 -89.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.111 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' A' ' 23' ' ' THR . . . 175.4 179.34 0.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.08 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.1 t -71.91 110.59 6.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.96 -15.02 59.75 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.519 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.444 ' HB3' ' CG2' ' A' ' 31' ' ' THR . 3.5 m-30 -79.42 -14.85 58.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.925 0.393 . . . . 0.0 110.956 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.0 t -46.73 -24.23 0.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.849 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.73 -40.27 91.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.934 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.23 -57.53 4.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.499 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 73.2 p -50.14 -71.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 31' ' ' THR . 3.0 t70 82.91 -50.88 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.664 ' HB3' HD13 ' A' ' 54' ' ' LEU . 9.3 t 34.4 86.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.796 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.2 mttp -69.09 -1.73 8.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.797 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -88.48 -48.23 7.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.119 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.817 HD12 ' HA ' ' A' ' 54' ' ' LEU . 71.2 mt -78.77 -63.33 1.44 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.864 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.422 ' O ' ' CB ' ' A' ' 38' ' ' SER . . . 122.09 -19.84 8.17 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.497 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.661 ' HB2' HD23 ' A' ' 54' ' ' LEU . 1.4 p 78.07 20.91 0.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.936 0.398 . . . . 0.0 110.841 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -145.93 28.31 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.916 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.78 ' O ' HD12 ' A' ' 53' ' ' LEU . . . -121.95 102.33 8.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 179.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 38.6 t -96.9 137.51 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.184 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -163.04 116.94 0.74 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.467 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.428 ' C ' ' HB ' ' A' ' 3' ' ' THR . 0.3 OUTLIER -61.51 137.63 58.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.879 0.371 . . . . 0.0 110.851 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.513 HD11 ' CD2' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -71.26 103.28 2.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.493 ' N ' ' O ' ' A' ' 2' ' ' TYR . 31.7 p -41.99 -28.94 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.161 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.68 -68.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 48' ' ' SER . 26.6 p -96.76 -37.89 10.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.812 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 0.3 OUTLIER 82.96 67.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.821 -179.857 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.71 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 25.3 m170 -114.36 -101.14 0.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.936 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.71 ' HB2' ' O ' ' A' ' 49' ' ' HIS . . . 159.18 131.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.831 ' CD2' HD11 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -170.29 -172.29 1.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.879 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.504 ' NE2' HD23 ' A' ' 21' ' ' LEU . 23.4 m170 -98.59 101.92 13.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.822 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.78 HD12 ' O ' ' A' ' 40' ' ' ALA . 72.8 mt -35.99 -32.89 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.817 ' HA ' HD12 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -68.97 -61.26 1.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 34.8 m -51.48 -30.63 20.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.803 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.852 HD22 ' HD3' ' A' ' 72' ' ' PRO . 5.5 mt -73.07 -57.37 4.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.842 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.424 ' HA ' HD23 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -46.46 -20.6 0.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.404 ' N ' ' C ' ' A' ' 56' ' ' LEU . . . -81.14 -64.0 1.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.189 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.436 ' CE ' ' HB3' ' A' ' 70' ' ' GLN . 1.0 OUTLIER -72.04 -8.52 55.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 179.869 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.576 ' CD1' ' HA ' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -62.95 -18.47 63.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.853 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -9.35 4.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.411 ' OD1' ' C ' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -91.46 -51.88 5.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -137.34 -172.12 12.42 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.46 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 50.2 34.21 8.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.819 0.343 . . . . 0.0 110.858 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.521 ' HA ' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -79.96 102.1 9.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.879 179.923 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.444 ' CB ' ' OH ' ' A' ' 2' ' ' TYR . 0.2 OUTLIER -159.81 -46.45 0.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.846 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 68' ' ' SER . . . 165.78 75.32 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.506 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.583 ' OG ' HD13 ' A' ' 69' ' ' LEU . 2.3 t 160.87 -94.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.863 0.364 . . . . 0.0 110.891 -179.702 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.583 HD13 ' OG ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -174.21 -173.4 0.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.436 ' HB3' ' CE ' ' A' ' 59' ' ' MET . 66.5 tt0 -119.1 157.67 27.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.918 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.601 ' SG ' ' CE1' ' A' ' 51' ' ' PHE . 33.9 t -90.98 115.65 64.75 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.6 0.714 . . . . 0.0 110.864 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.852 ' HD3' HD22 ' A' ' 56' ' ' LEU . 54.2 Cg_endo -69.75 -14.4 36.06 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.365 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.431 ' HB3' ' ND1' ' A' ' 49' ' ' HIS . 8.7 t -78.0 -71.76 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.814 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 76' ' ' THR . 26.4 p -110.27 39.35 2.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 41.05 24.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 74' ' ' CYS . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.142 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.882 0.372 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.766 ' O ' HG23 ' A' ' 45' ' ' THR . 0.0 OUTLIER -114.06 -21.91 10.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.942 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.651 HG21 HD11 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -114.41 157.31 23.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.114 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 5' ' ' GLU . 0.4 OUTLIER -122.66 115.87 22.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 4' ' ' GLU . 0.2 OUTLIER -36.31 145.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 8' ' ' VAL . 8.1 mt -113.29 117.64 32.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.73 -23.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.628 HG12 ' HD2' ' A' ' 9' ' ' PRO . 0.1 OUTLIER -150.74 148.87 24.33 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.591 0.71 . . . . 0.0 111.152 179.846 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.628 ' HD2' HG12 ' A' ' 8' ' ' VAL . 53.1 Cg_endo -69.76 127.5 14.68 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.633 2.222 . . . . 0.0 112.363 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.74 ' HD2' HG11 ' A' ' 41' ' ' VAL . 53.8 Cg_endo -69.72 -163.9 0.12 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.729 2.286 . . . . 0.0 112.34 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -125.98 49.89 1.92 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.919 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -103.09 -28.21 12.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 75.13 127.37 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.814 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.574 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 51.4 t -52.14 144.55 12.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.476 HD11 ' HD2' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -101.38 -18.8 6.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.161 179.892 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.663 HD11 HD23 ' A' ' 56' ' ' LEU . 0.8 OUTLIER -77.89 -70.49 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.128 179.87 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.4 p -79.28 -1.79 38.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 8.6 mtp 56.37 39.8 29.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -117.36 171.97 7.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.844 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.44 ' CD ' ' N ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -65.67 139.5 58.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.959 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.719 HD13 ' HG2' ' A' ' 10' ' ' PRO . 7.4 mt -71.25 0.5 7.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 p -109.49 -0.13 19.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.415 HG22 ' O ' ' A' ' 23' ' ' THR . 4.4 m -111.22 34.02 4.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.197 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 53.51 -179.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.08 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.425 ' HA ' ' ND1' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -74.7 142.29 44.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.83 -179.787 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -85.91 -18.4 59.73 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.501 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.433 ' O ' ' N ' ' A' ' 30' ' ' VAL . 8.4 m-30 -82.54 -13.38 56.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.813 0.34 . . . . 0.0 110.924 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.481 ' HB2' ' CB ' ' A' ' 38' ' ' SER . 0.1 OUTLIER -36.85 -39.82 0.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.819 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -60.5 -48.41 81.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.847 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 27' ' ' TYR . 95.4 t -83.06 -71.91 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.602 ' OG1' HD11 ' A' ' 54' ' ' LEU . 21.4 p -46.31 -74.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.151 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.485 ' CB ' ' O ' ' A' ' 31' ' ' THR . 6.6 t0 82.28 -40.29 0.11 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.838 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 32' ' ' ASP . 5.2 m 32.72 -148.83 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.944 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.29 -44.69 0.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.35 -72.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.946 HD21 HD12 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -59.98 -35.03 74.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.456 ' O ' HD23 ' A' ' 39' ' ' LEU . . . 57.47 13.29 10.8 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.43 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.635 ' CB ' HD23 ' A' ' 54' ' ' LEU . 2.0 t 65.05 46.23 2.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.952 0.406 . . . . 0.0 110.824 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.456 HD23 ' O ' ' A' ' 37' ' ' GLY . 0.6 OUTLIER -165.95 48.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.957 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -155.22 122.62 5.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.08 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.74 HG11 ' HD2' ' A' ' 10' ' ' PRO . 2.5 t -114.18 129.84 69.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.091 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -160.44 121.55 1.04 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.57 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 40.8 p-80 -67.76 147.19 52.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.877 0.37 . . . . 0.0 110.806 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -76.14 97.13 4.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.956 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.766 HG23 ' O ' ' A' ' 2' ' ' TYR . 50.3 p -34.53 -32.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.154 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 44' ' ' LEU . 8.4 tptt -47.71 -63.94 0.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.485 ' O ' ' CB ' ' A' ' 48' ' ' SER . 17.8 p -106.11 -34.1 7.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 3.0 t 82.7 64.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.705 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 26.3 m170 -109.1 -100.35 0.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.705 ' HB2' ' O ' ' A' ' 49' ' ' HIS . . . 159.59 135.61 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.798 ' CD1' HD11 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -176.64 168.72 2.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.574 ' CE1' ' HB2' ' A' ' 14' ' ' CYS . 31.3 m170 -80.57 100.7 8.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.82 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.426 ' C ' ' HG ' ' A' ' 36' ' ' LEU . 42.7 mt -36.23 -30.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.778 ' C ' HD12 ' A' ' 54' ' ' LEU . 0.3 OUTLIER -74.19 -66.68 0.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.909 179.881 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 99.3 m -45.76 -33.66 3.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.798 HD11 ' CD1' ' A' ' 51' ' ' PHE . 17.0 mt -72.73 -55.92 6.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.946 HD12 HD21 ' A' ' 36' ' ' LEU . 2.5 tt -41.72 -23.91 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.965 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 56' ' ' LEU . . . -70.94 -65.98 0.67 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.07 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.0 -8.46 57.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.585 ' CD2' ' N ' ' A' ' 61' ' ' CYS . 0.0 OUTLIER -61.22 -29.81 70.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.883 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.585 ' N ' ' CD2' ' A' ' 60' ' ' TYR . 1.0 OUTLIER -57.28 -13.87 3.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -80.16 -51.48 8.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 64' ' ' ASN . . . -145.43 174.02 25.6 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.416 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.47 ' HB2' ' NE2' ' A' ' 70' ' ' GLN . 55.1 t30 38.04 50.82 1.39 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.915 0.388 . . . . 0.0 110.907 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.579 ' HA ' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -116.06 97.47 6.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -125.62 -13.12 6.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.816 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 147.87 44.18 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.498 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.603 ' C ' HD13 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -165.59 -86.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.901 0.382 . . . . 0.0 110.881 -179.708 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.651 HD11 HG21 ' A' ' 3' ' ' THR . 0.0 OUTLIER -177.73 -173.37 0.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.47 ' NE2' ' HB2' ' A' ' 64' ' ' ASN . 4.4 tp60 -129.05 156.01 44.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.979 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.436 ' CB ' HG22 ' A' ' 76' ' ' THR . 15.9 t -91.33 107.58 22.59 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.605 0.717 . . . . 0.0 110.834 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.677 ' HD3' HD22 ' A' ' 56' ' ' LEU . 53.7 Cg_endo -69.79 3.09 2.99 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.737 2.291 . . . . 0.0 112.314 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.94 -84.08 0.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 75' ' ' LYS . 14.5 p -97.39 29.86 3.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 74' ' ' CYS . 10.7 mmtm 33.98 42.38 0.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.443 ' O ' ' CG2' ' A' ' 76' ' ' THR . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.782 0.325 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.743 ' O ' HG23 ' A' ' 45' ' ' THR . 0.0 OUTLIER -111.71 -12.05 13.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.875 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.779 ' CG2' HD11 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -106.88 121.05 43.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.189 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.463 ' O ' HD23 ' A' ' 6' ' ' LEU . 62.3 tt0 -94.12 105.43 17.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 4' ' ' GLU . 8.5 tt0 -35.05 133.0 0.32 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.3 OUTLIER -88.72 104.2 16.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 6' ' ' LEU . 0.3 OUTLIER -34.21 -34.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.958 179.816 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.474 ' N ' ' O ' ' A' ' 6' ' ' LEU . 19.6 m -129.8 152.5 79.96 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.622 0.725 . . . . 0.0 111.147 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.71 140.03 41.86 Favored 'Trans proline' 0 N--CA 1.464 -0.219 0 C-N-CA 122.718 2.279 . . . . 0.0 112.378 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.498 ' O ' ' CB ' ' A' ' 11' ' ' ASP . 53.3 Cg_endo -69.8 -34.55 14.22 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.691 2.26 . . . . 0.0 112.379 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER 82.84 38.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.887 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.486 ' HB2' HD12 ' A' ' 21' ' ' LEU . 1.5 mm-40 -103.67 -94.65 0.32 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.916 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.448 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 0.3 OUTLIER 163.5 116.73 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.478 ' N ' ' O ' ' A' ' 19' ' ' GLU . 36.4 t -37.77 156.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.71 -20.51 6.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.094 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.896 HD11 HD23 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -80.29 -70.12 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.077 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 18' ' ' MET . 14.7 p -85.0 18.73 2.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.441 ' C ' ' O ' ' A' ' 17' ' ' CYS . 0.8 OUTLIER 35.32 71.17 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 14' ' ' CYS . 25.3 mm-40 -145.8 -176.84 5.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.8 mttp -77.28 132.53 38.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.936 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.74 HD21 ' HA ' ' A' ' 51' ' ' PHE . 7.7 mt -69.15 -4.23 16.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.876 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.48 -12.84 19.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.678 HG22 ' N ' ' A' ' 24' ' ' ALA . 18.5 m -83.07 -91.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.117 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.803 ' HB1' ' OG ' ' A' ' 38' ' ' SER . . . -175.77 169.08 3.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.105 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.474 ' CB ' ' HB3' ' A' ' 54' ' ' LEU . 0.1 OUTLIER -70.68 128.19 35.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.82 -179.71 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.15 -33.88 84.5 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.528 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.485 ' O ' ' N ' ' A' ' 29' ' ' ASP . 7.3 m-85 -67.82 -21.59 65.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.859 0.361 . . . . 0.0 110.921 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.565 ' HA ' HD21 ' A' ' 54' ' ' LEU . 8.1 p -39.23 -25.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.815 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.807 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.4 OUTLIER -46.62 -64.46 0.76 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.807 HG23 ' O ' ' A' ' 29' ' ' ASP . 3.4 t -167.92 90.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.132 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.485 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 1.5 t -106.62 -26.52 11.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.097 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.485 ' CB ' ' O ' ' A' ' 31' ' ' THR . 4.2 t0 82.44 34.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.853 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.719 ' OG ' HD23 ' A' ' 57' ' ' LEU . 51.4 m -85.02 150.8 24.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.671 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 34.1 tttp -44.1 -54.11 5.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.864 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.671 ' HB2' ' O ' ' A' ' 34' ' ' LYS . . . 160.95 95.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.066 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.819 HD13 HD22 ' A' ' 57' ' ' LEU . 0.6 OUTLIER -142.07 110.5 6.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 36' ' ' LEU . . . -37.04 146.38 0.08 OUTLIER Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.428 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.803 ' OG ' ' HB1' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -85.28 11.49 9.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.911 0.386 . . . . 0.0 110.816 -179.743 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.61 1.73 4.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.989 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.681 ' O ' HD12 ' A' ' 53' ' ' LEU . . . -71.56 66.79 0.51 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.114 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.3 t -46.07 118.42 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -127.98 129.34 6.31 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.543 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.549 ' CG ' ' O ' ' A' ' 43' ' ' HIS . 2.8 p80 -103.56 117.39 34.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.834 0.349 . . . . 0.0 110.877 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.568 HD12 ' HB2' ' A' ' 71' ' ' CYS . 1.1 mt -58.7 119.49 7.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.743 HG23 ' O ' ' A' ' 2' ' ' TYR . 56.3 p -72.51 2.55 6.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.164 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.12 -43.57 16.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.587 ' SG ' ' CD2' ' A' ' 49' ' ' HIS . 6.7 p -124.42 -16.93 6.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.481 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 0.3 OUTLIER 83.29 42.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.841 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.587 ' CD2' ' SG ' ' A' ' 47' ' ' CYS . 9.0 m170 -109.88 129.06 55.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.6 ' C ' ' CG ' ' A' ' 51' ' ' PHE . . . -97.67 160.16 14.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.088 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.951 ' CD2' HD11 ' A' ' 56' ' ' LEU . 0.0 OUTLIER 173.04 175.54 0.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.923 -179.927 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.464 ' CE1' ' HB2' ' A' ' 14' ' ' CYS . 35.8 m170 -68.08 102.18 1.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.711 ' HA ' HD12 ' A' ' 56' ' ' LEU . 5.7 mt -36.28 -70.14 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.727 HD13 HD21 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -37.8 -63.16 0.49 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.872 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.406 ' C ' HD12 ' A' ' 16' ' ' ILE . 98.7 m -43.22 -51.48 6.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.951 HD11 ' CD2' ' A' ' 51' ' ' PHE . 13.8 mt -54.34 -59.2 4.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.819 HD22 HD13 ' A' ' 36' ' ' LEU . 5.8 tp -44.5 -46.0 9.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.957 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.409 ' CB ' ' CD2' ' A' ' 27' ' ' TYR . . . -59.01 -61.08 2.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.092 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -70.92 -8.67 54.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.833 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.646 ' C ' ' CD2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -64.49 -14.85 59.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.923 -179.861 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.431 ' N ' ' CD2' ' A' ' 60' ' ' TYR . 0.5 OUTLIER -69.13 -9.38 52.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -93.28 -53.83 3.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 65' ' ' LYS . . . -115.94 -168.03 15.14 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.51 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.461 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 3.1 m120 44.35 -90.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.851 0.358 . . . . 0.0 110.921 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.577 ' HA ' ' CE1' ' A' ' 60' ' ' TYR . 0.1 OUTLIER 58.31 25.84 13.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.892 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.449 ' C ' ' OD2' ' A' ' 66' ' ' ASP . 0.9 OUTLIER -72.48 -36.55 68.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 179.897 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.444 ' N ' ' OH ' ' A' ' 2' ' ' TYR . . . 145.26 40.8 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.532 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.791 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -166.53 -67.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.978 0.418 . . . . 0.0 110.876 -179.714 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.779 HD11 ' CG2' ' A' ' 3' ' ' THR . 0.0 OUTLIER -171.63 -173.71 1.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.93 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.461 ' HG3' ' N ' ' A' ' 64' ' ' ASN . 4.9 tt0 -134.24 151.26 51.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.568 ' HB2' HD12 ' A' ' 44' ' ' LEU . 12.1 t -97.43 102.92 14.0 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.61 0.719 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.456 ' HG3' ' CD1' ' A' ' 16' ' ' ILE . 53.3 Cg_endo -69.8 -11.0 29.9 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.671 2.247 . . . . 0.0 112.335 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.01 -65.57 0.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.832 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.5 p -116.43 23.04 12.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.8 mttt 45.94 50.14 11.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.124 -179.972 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.842 0.353 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.588 ' CE2' ' HB2' ' A' ' 68' ' ' SER . 0.0 OUTLIER -116.14 -4.41 11.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.965 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.893 HG21 HD11 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -128.94 155.78 44.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.202 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 5' ' ' GLU . 0.1 OUTLIER -128.36 110.99 12.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.969 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 4' ' ' GLU . 6.6 tt0 -35.05 143.52 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.838 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 8' ' ' VAL . 18.0 mt -94.06 115.37 27.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.965 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 6' ' ' LEU . 4.0 mmtp -38.31 -26.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.911 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.501 ' N ' ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -148.54 158.85 39.86 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.577 0.703 . . . . 0.0 111.116 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 131.49 21.22 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.645 2.23 . . . . 0.0 112.338 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.703 ' HD2' HG21 ' A' ' 41' ' ' VAL . 53.5 Cg_endo -69.79 -163.76 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.63 2.22 . . . . 0.0 112.313 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -143.39 49.22 1.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.523 ' HB2' HD12 ' A' ' 21' ' ' LEU . 57.6 mm-40 -115.61 -96.25 0.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER 160.23 136.14 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.845 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 53.0 t -47.79 162.79 0.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -114.99 -27.34 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.145 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.584 HD12 ' HB3' ' A' ' 55' ' ' CYS . 8.3 mt -81.66 -68.48 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.179 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.497 ' SG ' ' CG ' ' A' ' 19' ' ' GLU . 18.3 p -73.36 -11.67 60.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.3 29.99 17.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.497 ' CG ' ' SG ' ' A' ' 17' ' ' CYS . 7.9 mm-40 -110.05 160.25 16.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.896 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.64 138.67 22.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.756 HD21 ' HA ' ' A' ' 51' ' ' PHE . 10.5 mt -66.21 -11.88 52.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.843 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.06 -17.68 16.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.456 HG22 ' O ' ' A' ' 23' ' ' THR . 4.8 m -84.13 29.6 0.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.105 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.431 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . 51.15 176.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.059 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.411 ' CB ' ' HB3' ' A' ' 54' ' ' LEU . 19.7 t -68.25 147.22 52.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -83.79 -21.83 56.89 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.51 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.549 ' HB3' HG23 ' A' ' 31' ' ' THR . 21.3 m-85 -94.48 4.83 53.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.9 0.381 . . . . 0.0 110.929 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -42.66 -23.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 27' ' ' TYR . 0.3 OUTLIER -101.27 -38.0 8.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.824 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.99 -67.22 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.549 HG23 ' HB3' ' A' ' 27' ' ' TYR . 10.8 p -58.88 -152.84 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.175 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.466 ' O ' ' N ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -153.31 -37.02 0.1 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.849 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 32' ' ' ASP . 8.7 m -37.37 94.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -84.38 -13.06 53.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.877 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.47 -48.67 37.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.186 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.533 ' CD1' HD12 ' A' ' 57' ' ' LEU . 18.6 mt -72.56 -32.57 66.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.79 11.51 84.53 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.516 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.9 p 37.45 78.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.913 0.387 . . . . 0.0 110.869 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.438 ' HA ' HD12 ' A' ' 39' ' ' LEU . 5.4 tp 177.22 -28.76 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.851 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -80.47 108.12 13.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.703 HG21 ' HD2' ' A' ' 10' ' ' PRO . 2.9 t -74.76 120.19 23.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.59 ' HA3' HD21 ' A' ' 53' ' ' LEU . . . -123.56 132.74 8.6 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.431 ' CG ' ' O ' ' A' ' 43' ' ' HIS . 1.9 p80 -106.53 123.59 48.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.795 0.331 . . . . 0.0 110.877 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.602 HD12 ' CD2' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -63.01 95.06 0.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.519 HG22 ' O ' ' A' ' 2' ' ' TYR . 0.0 OUTLIER -38.7 -25.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.145 179.918 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 44' ' ' LEU . 1.7 tptp -53.38 -51.61 61.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 18.7 p -120.47 -34.86 3.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.8 m 74.41 74.55 0.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.493 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 29.4 m170 -115.66 -25.98 7.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.601 ' C ' ' CG ' ' A' ' 51' ' ' PHE . . . 71.2 143.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.075 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.837 ' HB2' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -178.99 -169.08 0.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.945 ' O ' HD22 ' A' ' 56' ' ' LEU . 43.2 m170 -86.29 95.21 9.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.59 HD21 ' HA3' ' A' ' 42' ' ' GLY . 10.0 mt -35.3 -30.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.931 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.551 ' C ' ' CD1' ' A' ' 54' ' ' LEU . 0.3 OUTLIER -69.27 -61.66 1.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.955 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.584 ' HB3' HD12 ' A' ' 16' ' ' ILE . 96.7 m -49.87 -62.84 1.34 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.945 HD22 ' O ' ' A' ' 52' ' ' HIS . 0.2 OUTLIER -40.21 -52.08 2.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.533 HD12 ' CD1' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -45.04 -56.65 4.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.977 179.849 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.54 -55.56 33.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.139 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.442 ' HB2' HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -63.89 -16.33 61.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.631 ' C ' ' CD1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -70.65 -14.43 62.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.918 -179.882 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 31.2 p -60.01 -9.87 3.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -90.55 -46.63 8.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 60' ' ' TYR . . . -142.29 -174.47 14.89 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.521 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.474 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 3.4 t-20 48.1 53.66 11.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.92 0.391 . . . . 0.0 110.861 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.579 ' HA ' ' CE2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -94.15 106.7 18.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.891 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.437 ' CB ' ' OH ' ' A' ' 2' ' ' TYR . 0.4 OUTLIER -164.07 -37.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.867 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.437 ' N ' ' OH ' ' A' ' 2' ' ' TYR . . . 151.91 73.99 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.491 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.67 ' C ' HD13 ' A' ' 69' ' ' LEU . 0.6 OUTLIER 168.65 -92.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.955 0.407 . . . . 0.0 110.894 -179.697 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.893 HD11 HG21 ' A' ' 3' ' ' THR . 0.0 OUTLIER 178.11 -173.34 0.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.922 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.491 ' N ' ' HB2' ' A' ' 60' ' ' TYR . 9.2 tp60 -130.25 143.29 50.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.45 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 6.4 t -76.35 111.45 15.55 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.626 0.727 . . . . 0.0 110.938 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.577 ' HD3' HD12 ' A' ' 56' ' ' LEU . 52.9 Cg_endo -69.76 -7.74 21.82 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.668 2.246 . . . . 0.0 112.32 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.433 ' HB3' ' ND1' ' A' ' 49' ' ' HIS . 0.4 OUTLIER -82.13 -82.56 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.858 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 75' ' ' LYS . 20.2 p -99.85 34.14 2.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.856 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 74' ' ' CYS . 0.0 OUTLIER 37.0 43.56 0.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.911 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.433 ' CG2' ' HB3' ' A' ' 46' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.129 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 9.9 m120 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.863 0.363 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.584 ' CD1' ' CB ' ' A' ' 68' ' ' SER . 2.6 m-30 -91.89 -28.63 17.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.741 ' HA ' HG23 ' A' ' 45' ' ' THR . 0.5 OUTLIER -145.01 175.07 10.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.148 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.449 ' N ' ' OG1' ' A' ' 3' ' ' THR . 6.1 tt0 -111.3 119.41 38.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.871 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 4' ' ' GLU . 6.3 tt0 -34.97 133.57 0.28 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.952 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.569 HD23 ' N ' ' A' ' 6' ' ' LEU . 3.1 mt -82.57 -25.85 32.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.98 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.508 ' CB ' ' O ' ' A' ' 6' ' ' LEU . 4.3 tttt 83.43 -34.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -132.82 144.34 52.46 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.708 0.766 . . . . 0.0 111.125 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.459 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 54.0 Cg_endo -69.82 110.32 2.54 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 122.606 2.204 . . . . 0.0 112.382 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.487 ' HG2' HD12 ' A' ' 21' ' ' LEU . 53.6 Cg_endo -69.7 -164.72 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.673 2.249 . . . . 0.0 112.321 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -105.14 32.61 4.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -98.25 -38.18 9.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 61.55 130.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.836 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.516 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 46.1 t -44.15 160.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.856 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -119.86 -20.26 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.579 HG22 ' CE1' ' A' ' 27' ' ' TYR . 0.9 OUTLIER -76.56 -66.25 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.153 179.857 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.4 p -81.3 -3.61 53.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.829 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 54.38 53.08 11.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -133.34 -177.74 4.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.821 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -76.17 132.31 39.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.615 HD13 HG11 ' A' ' 41' ' ' VAL . 8.2 mt -60.18 -10.05 4.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 83.3 p -86.81 -45.4 10.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.64 HG22 ' N ' ' A' ' 24' ' ' ALA . 20.0 m -51.3 -89.58 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.64 ' N ' HG22 ' A' ' 23' ' ' THR . . . 170.21 164.91 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.132 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.84 126.27 19.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -71.7 -27.62 70.63 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.49 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.579 ' CE1' HG22 ' A' ' 16' ' ' ILE . 13.7 m-30 -83.92 -0.34 50.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.874 0.369 . . . . 0.0 110.915 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.2 t -57.74 -12.32 2.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -82.35 -22.32 35.58 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.856 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.6 p -123.37 -8.39 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.19 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.469 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 42.4 p -110.35 -93.43 0.44 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.086 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 34' ' ' LYS . 1.4 t0 80.86 -5.75 1.68 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.82 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.754 ' CB ' HD12 ' A' ' 36' ' ' LEU . 1.8 t 42.96 -91.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.855 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 32' ' ' ASP . 0.6 OUTLIER 164.07 -23.12 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 179.903 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -119.11 -42.86 2.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.848 HD13 ' HA ' ' A' ' 54' ' ' LEU . 1.4 mt -55.71 -40.89 73.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.553 ' O ' HD23 ' A' ' 39' ' ' LEU . . . 63.99 12.95 51.15 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.454 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.9 t 61.7 59.77 1.73 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.91 0.386 . . . . 0.0 110.903 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.553 HD23 ' O ' ' A' ' 37' ' ' GLY . 0.9 OUTLIER -177.65 57.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.934 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.696 ' HB1' HD12 ' A' ' 53' ' ' LEU . . . -149.55 105.28 3.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.134 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.615 HG11 HD13 ' A' ' 21' ' ' LEU . 32.6 t -102.46 123.14 55.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -151.43 135.82 5.25 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.5 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.449 ' O ' ' C ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -89.75 103.82 16.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.838 0.351 . . . . 0.0 110.839 -179.883 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.759 HD13 ' CG2' ' A' ' 76' ' ' THR . 0.2 OUTLIER -33.59 120.38 0.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.885 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.741 HG23 ' HA ' ' A' ' 3' ' ' THR . 14.3 p -64.06 -10.65 23.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.679 ' HB2' HD22 ' A' ' 44' ' ' LEU . 4.5 mtmm -73.45 -68.26 0.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.469 ' SG ' ' CD2' ' A' ' 49' ' ' HIS . 26.4 p -96.42 -16.35 21.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER 60.39 70.66 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.819 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.711 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 20.8 m170 -115.79 -101.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.844 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.711 ' HB2' ' O ' ' A' ' 49' ' ' HIS . . . 158.32 133.18 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.023 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.626 ' CD2' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -178.99 178.04 0.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.516 ' CE1' ' HB2' ' A' ' 14' ' ' CYS . 22.9 m170 -88.02 103.51 15.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.696 HD12 ' HB1' ' A' ' 40' ' ' ALA . 24.3 mt -36.3 -29.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.848 ' HA ' HD13 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -78.11 -68.47 0.63 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.915 179.896 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 54' ' ' LEU . 57.6 m -35.61 -38.31 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.815 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.626 HD21 ' CD2' ' A' ' 51' ' ' PHE . 0.1 OUTLIER -72.72 -51.48 19.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.679 HD22 ' O ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -39.59 -25.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.91 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 56' ' ' LEU . . . -77.02 -65.46 0.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.492 ' SD ' ' CD1' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -68.97 -8.62 46.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.872 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.541 ' CZ ' ' HG3' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -64.11 -21.47 66.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 -179.792 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.05 -9.41 4.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -90.8 -54.06 4.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -135.62 -167.54 11.33 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.519 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.488 ' ND2' ' C ' ' A' ' 76' ' ' THR . 11.5 t-20 38.77 36.19 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.846 0.355 . . . . 0.0 110.905 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.541 ' HG3' ' CZ ' ' A' ' 60' ' ' TYR . 0.8 OUTLIER -85.64 77.35 9.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.906 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -114.38 -36.7 4.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 156.84 33.46 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.527 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.679 ' O ' HD22 ' A' ' 57' ' ' LEU . 66.1 m -155.06 -87.3 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.848 0.356 . . . . 0.0 110.905 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.611 HD13 ' HB3' ' A' ' 68' ' ' SER . 0.0 OUTLIER -166.88 -173.34 2.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.496 ' N ' ' HB2' ' A' ' 60' ' ' TYR . 66.4 tt0 -123.69 157.63 33.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 14.8 t -100.81 115.47 65.28 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.61 0.719 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -10.65 29.07 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.622 2.214 . . . . 0.0 112.369 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.13 -77.87 0.21 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.825 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 76' ' ' THR . 26.2 p -104.48 38.3 1.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.589 ' CD ' ' N ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER 37.74 31.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.828 179.91 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.759 ' CG2' HD13 ' A' ' 44' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.139 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . 0.88 ' CG ' HD23 ' A' ' 36' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.823 0.344 . . . . 0.0 110.901 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.59 ' CE1' ' HA ' ' A' ' 68' ' ' SER . 0.1 OUTLIER -110.09 5.62 22.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.936 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.813 HG22 HD23 ' A' ' 44' ' ' LEU . 2.6 p -122.45 133.4 54.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.148 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 4' ' ' GLU . 0.6 OUTLIER -34.37 93.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 3' ' ' THR . 9.6 tt0 -58.79 158.02 8.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 8' ' ' VAL . 14.3 mt -118.36 122.48 42.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -34.29 -35.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 179.814 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 6' ' ' LEU . 1.4 m -148.04 157.13 43.58 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.625 0.726 . . . . 0.0 111.127 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.415 ' HB3' HG21 ' A' ' 41' ' ' VAL . 53.4 Cg_endo -69.81 125.77 12.5 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.697 2.265 . . . . 0.0 112.258 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.477 ' HD2' HG11 ' A' ' 41' ' ' VAL . 54.3 Cg_endo -69.72 -163.87 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.699 2.266 . . . . 0.0 112.374 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -116.26 32.19 6.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -88.54 -25.12 22.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.7 t70 65.4 128.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.468 ' N ' ' HG ' ' A' ' 21' ' ' LEU . 46.1 t -41.58 163.92 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.832 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -113.83 -24.55 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.139 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.473 HD11 ' HG3' ' A' ' 72' ' ' PRO . 0.6 OUTLIER -76.13 -70.1 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.843 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 18' ' ' MET . 30.0 p -82.07 15.28 2.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.43 ' C ' ' O ' ' A' ' 17' ' ' CYS . 6.5 mtp 35.58 51.69 0.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -130.94 165.27 23.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -56.24 136.72 52.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.961 HD21 ' HA ' ' A' ' 51' ' ' PHE . 13.7 mt -68.78 -2.0 8.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.925 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -113.68 12.53 18.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.2 p -116.92 26.87 9.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.101 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 60.07 170.75 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.418 ' HA ' ' ND1' ' A' ' 52' ' ' HIS . 2.9 t -71.6 144.9 49.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.887 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -82.56 -26.15 47.8 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.513 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.422 ' CZ ' HG22 ' A' ' 16' ' ' ILE . 10.3 m-30 -82.99 4.66 25.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.879 0.371 . . . . 0.0 110.916 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 91.4 p -60.63 -10.24 4.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.899 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -86.1 -11.46 52.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -129.35 -53.47 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.144 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.616 ' OG1' HD11 ' A' ' 54' ' ' LEU . 27.0 p -58.59 -45.66 88.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 43.29 31.11 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.7 ' HB3' HD13 ' A' ' 54' ' ' LEU . 0.9 OUTLIER -40.6 102.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.906 -179.818 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -88.39 30.43 0.89 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -125.16 -42.11 2.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.106 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.88 HD23 ' CG ' ' A' ' 1' ' ' ASN . 44.6 mt -81.62 -62.6 1.6 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.973 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 141.92 -20.86 2.5 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.484 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 43.1 t 63.61 20.34 12.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.896 0.379 . . . . 0.0 110.87 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -153.25 23.13 0.55 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.445 ' CB ' HD12 ' A' ' 53' ' ' LEU . . . -110.59 139.47 45.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.477 HG11 ' HD2' ' A' ' 10' ' ' PRO . 3.4 t -119.03 124.14 72.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.16 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.404 ' C ' ' OG1' ' A' ' 3' ' ' THR . . . -157.66 140.95 7.4 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.54 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.598 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 0.3 OUTLIER -94.24 115.44 27.69 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.741 0.305 . . . . 0.0 110.914 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.813 HD23 HG22 ' A' ' 3' ' ' THR . 1.2 mt -36.49 139.35 0.18 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.858 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 p -82.58 37.49 0.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.46 -57.22 1.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.59 ' SG ' ' CD2' ' A' ' 49' ' ' HIS . 6.6 p -110.67 -16.51 13.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 1.5 m 83.04 26.43 0.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.606 ' O ' ' CZ ' ' A' ' 51' ' ' PHE . 12.1 m170 -89.46 126.33 35.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.578 ' C ' ' CG ' ' A' ' 51' ' ' PHE . . . -89.6 160.91 16.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.146 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.961 ' HA ' HD21 ' A' ' 21' ' ' LEU . 0.0 OUTLIER 170.38 -170.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 -179.908 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.63 ' O ' HD12 ' A' ' 56' ' ' LEU . 36.5 m170 -87.52 97.68 10.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.907 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.589 ' C ' HD13 ' A' ' 36' ' ' LEU . 38.4 mt -35.93 -30.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.939 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.843 ' O ' HD12 ' A' ' 54' ' ' LEU . 0.3 OUTLIER -69.9 -58.85 3.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 179.918 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.527 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 75.0 m -49.45 -47.46 48.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.845 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.842 HD21 ' CE2' ' A' ' 51' ' ' PHE . 5.6 mp -55.66 -57.77 10.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.412 ' HB2' HD11 ' A' ' 36' ' ' LEU . 15.8 tp -45.68 -26.87 0.69 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.991 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 55' ' ' CYS . . . -69.52 -66.56 0.57 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.059 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.507 ' CE ' ' O ' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -74.13 -8.38 55.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.55 ' CD1' ' HA ' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -56.13 -28.69 58.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.004 -179.882 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.475 ' N ' ' CD2' ' A' ' 60' ' ' TYR . 0.1 OUTLIER -60.64 -9.36 3.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.911 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 -83.59 -49.57 9.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.485 ' N ' ' OE1' ' A' ' 70' ' ' GLN . . . -138.25 -172.03 12.4 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.491 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.465 ' ND2' ' HA ' ' A' ' 70' ' ' GLN . 3.1 m-20 63.28 -74.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.939 0.399 . . . . 0.0 110.895 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.52 ' HA ' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER 41.79 82.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -151.09 59.13 0.91 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 45.36 51.24 9.53 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.447 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.599 ' C ' HD13 ' A' ' 69' ' ' LEU . 58.7 m -168.71 -96.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.863 0.363 . . . . 0.0 110.814 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.599 HD13 ' C ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -172.55 -174.05 1.12 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.951 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.627 ' O ' HD23 ' A' ' 56' ' ' LEU . 52.7 tt0 -129.18 158.0 40.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.949 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.427 ' HB3' ' C ' ' A' ' 76' ' ' THR . 4.9 t -88.96 111.47 44.94 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.653 0.739 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.576 ' HD2' ' CE1' ' A' ' 51' ' ' PHE . 53.9 Cg_endo -69.73 -16.53 37.71 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.638 2.225 . . . . 0.0 112.369 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.403 ' HB3' ' ND1' ' A' ' 49' ' ' HIS . 0.3 OUTLIER -68.73 -81.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.89 -179.847 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 19.2 p -99.37 29.71 3.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt 48.21 45.97 19.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.427 ' C ' ' HB3' ' A' ' 71' ' ' CYS . 2.5 m . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.883 0.373 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.573 ' O ' HG23 ' A' ' 45' ' ' THR . 9.9 m-30 -87.36 -28.36 22.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.94 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.79 ' HA ' HG23 ' A' ' 45' ' ' THR . 0.5 OUTLIER -141.46 173.48 11.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.11 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 5' ' ' GLU . 0.5 OUTLIER -112.58 111.32 22.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 4' ' ' GLU . 22.9 tt0 -35.15 137.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.826 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.823 HD11 ' CD2' ' A' ' 43' ' ' HIS . 16.9 mt -86.63 -24.81 25.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.458 ' CB ' ' O ' ' A' ' 6' ' ' LEU . 5.6 tttt 81.38 -14.61 0.8 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.5 m -144.37 145.85 30.72 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.638 0.732 . . . . 0.0 111.088 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.472 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 54.4 Cg_endo -69.74 110.38 2.54 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.578 2.185 . . . . 0.0 112.37 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.608 ' HG2' HD13 ' A' ' 21' ' ' LEU . 53.8 Cg_endo -69.77 -163.83 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.685 2.257 . . . . 0.0 112.327 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -119.81 63.66 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.526 ' HB2' HD12 ' A' ' 21' ' ' LEU . 5.3 mm-40 -121.88 -25.43 5.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 65.38 123.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.572 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 42.6 t -46.02 153.03 0.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -111.09 -19.04 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.07 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.595 HD11 ' CD2' ' A' ' 56' ' ' LEU . 1.0 OUTLIER -77.73 -67.24 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.15 179.841 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.3 p -81.97 -6.66 59.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.67 43.64 15.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.959 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -122.93 159.32 28.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.973 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.88 135.96 35.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.608 HD13 ' HG2' ' A' ' 10' ' ' PRO . 7.2 mt -68.53 -7.35 31.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.46 -47.57 13.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.878 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.538 ' O ' ' HB2' ' A' ' 24' ' ' ALA . 10.7 p -55.64 -89.64 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.129 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.538 ' HB2' ' O ' ' A' ' 23' ' ' THR . . . 171.78 177.56 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.1 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.64 135.01 56.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -83.14 -20.35 60.95 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.497 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.5 m-30 -90.71 1.68 56.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.875 0.369 . . . . 0.0 110.835 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.5 t -52.72 -18.09 1.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.848 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.99 -36.59 81.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.493 HG13 ' O ' ' A' ' 30' ' ' VAL . 3.1 p -165.69 86.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.123 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.489 ' O ' ' CB ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -115.16 -22.58 9.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.489 ' CB ' ' O ' ' A' ' 31' ' ' THR . 7.0 t0 82.29 16.41 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.804 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.4 p -92.59 120.91 33.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.21 13.73 34.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.922 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -121.68 -50.5 2.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.066 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.781 HD11 HD23 ' A' ' 57' ' ' LEU . 1.0 OUTLIER -78.48 117.96 20.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.929 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -91.32 19.96 43.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.489 ' O ' ' HB1' ' A' ' 24' ' ' ALA . 10.7 p 60.92 50.23 5.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.887 0.375 . . . . 0.0 110.857 -179.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.404 ' CG ' ' O ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -164.15 49.97 0.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -149.96 151.77 33.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.442 HG21 ' HA ' ' A' ' 9' ' ' PRO . 0.1 OUTLIER -139.83 135.11 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -151.64 122.89 1.4 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.488 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.823 ' CD2' HD11 ' A' ' 6' ' ' LEU . 7.8 m170 -81.22 100.16 8.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.784 0.326 . . . . 0.0 110.821 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.599 HD23 HG22 ' A' ' 76' ' ' THR . 2.3 tp -34.27 118.62 0.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.919 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.79 HG23 ' HA ' ' A' ' 3' ' ' THR . 41.0 p -58.79 -26.17 63.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.192 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.87 -64.73 0.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.519 ' SG ' ' CD2' ' A' ' 49' ' ' HIS . 32.1 p -100.38 -36.68 9.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 44' ' ' LEU . 1.5 t 81.89 68.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.709 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 26.6 m170 -115.59 -103.33 0.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.709 ' HB2' ' O ' ' A' ' 49' ' ' HIS . . . 158.98 134.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.834 ' CD1' HD11 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -174.53 168.31 3.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.572 ' CE1' ' HB2' ' A' ' 14' ' ' CYS . 34.1 m170 -76.27 100.44 5.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.841 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 52' ' ' HIS . 26.6 mt -36.14 -30.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.96 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.509 ' HA ' HD13 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -73.48 -70.16 0.39 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.976 179.887 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 89.1 m -42.37 -29.12 0.24 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.834 HD11 ' CD1' ' A' ' 51' ' ' PHE . 7.0 mt -76.38 -49.19 17.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.829 HD22 ' O ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -44.25 -21.67 0.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.894 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 56' ' ' LEU . . . -77.92 -66.92 0.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.048 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.456 ' CE ' ' HB3' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -60.61 -38.22 83.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.585 ' CD2' ' HA ' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -43.52 -22.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 -179.857 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.533 ' N ' ' CD1' ' A' ' 60' ' ' TYR . 24.3 p -48.45 -29.65 4.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.947 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -97.64 -70.38 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.837 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.516 ' O ' ' N ' ' A' ' 65' ' ' LYS . . . -67.87 174.91 28.25 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.465 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.493 ' ND2' ' OE1' ' A' ' 70' ' ' GLN . 27.3 m-20 34.23 -92.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.871 0.367 . . . . 0.0 110.887 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.579 ' HA ' ' CE2' ' A' ' 60' ' ' TYR . 10.3 tttp 52.32 71.89 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.457 ' CB ' ' OH ' ' A' ' 2' ' ' TYR . 0.4 OUTLIER -138.47 3.93 2.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 179.913 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.433 ' O ' ' CB ' ' A' ' 68' ' ' SER . . . 122.79 63.56 0.21 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.539 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.829 ' O ' HD22 ' A' ' 57' ' ' LEU . 0.5 OUTLIER 165.66 -83.63 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.848 0.356 . . . . 0.0 110.857 -179.717 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.619 HD13 ' C ' ' A' ' 68' ' ' SER . 0.0 OUTLIER 177.46 -172.4 0.11 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.572 ' O ' HD13 ' A' ' 56' ' ' LEU . 4.4 tp60 -127.01 157.7 38.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.429 ' SG ' ' CE2' ' A' ' 51' ' ' PHE . 6.0 t -91.81 112.12 53.03 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.619 0.723 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.587 ' HD3' HD22 ' A' ' 56' ' ' LEU . 53.8 Cg_endo -69.75 -8.23 23.08 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.659 2.239 . . . . 0.0 112.393 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.28 -81.84 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 76' ' ' THR . 21.2 p -100.38 33.88 2.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.882 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 74' ' ' CYS . 0.8 OUTLIER 37.19 31.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.599 HG22 HD23 ' A' ' 44' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.134 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.788 0.327 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.579 ' HB2' HD11 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -106.38 -6.72 18.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.973 ' CG2' HD22 ' A' ' 44' ' ' LEU . 19.1 p -103.26 161.9 13.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.176 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -116.79 109.9 17.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.434 ' O ' HD23 ' A' ' 6' ' ' LEU . 0.6 OUTLIER -47.38 157.69 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.884 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 8' ' ' VAL . 1.8 mt -130.56 106.5 8.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 6' ' ' LEU . 15.9 mttt -37.32 -28.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' A' ' 6' ' ' LEU . 3.8 m -137.36 144.25 44.69 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.56 0.695 . . . . 0.0 111.173 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 126.32 13.18 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.739 2.293 . . . . 0.0 112.304 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.475 ' HG2' ' CD1' ' A' ' 21' ' ' LEU . 53.8 Cg_endo -69.81 -163.87 0.12 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.718 2.279 . . . . 0.0 112.336 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -116.52 60.28 0.73 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -121.38 -21.56 6.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 65.21 131.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.8 t -50.78 152.23 2.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.83 -12.94 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.083 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.736 HG22 ' CE2' ' A' ' 27' ' ' TYR . 9.9 mm -78.88 -70.21 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 28.0 p -86.94 2.26 49.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.919 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 55.36 42.43 30.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 20' ' ' LYS . 6.6 mm-40 -125.98 144.28 50.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -34.39 139.65 0.08 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.698 HD21 ' HA ' ' A' ' 51' ' ' PHE . 6.8 mt -64.85 -5.86 6.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -105.22 -10.38 17.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.412 ' OG1' ' CB ' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -87.91 24.43 1.78 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.198 -179.907 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.544 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . 54.7 168.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.085 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.495 ' CB ' ' SG ' ' A' ' 55' ' ' CYS . 0.4 OUTLIER -64.58 136.45 57.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 -179.758 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -84.96 -18.43 61.23 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.432 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.736 ' CE2' HG22 ' A' ' 16' ' ' ILE . 10.5 m-30 -85.7 -12.01 52.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.909 0.385 . . . . 0.0 110.93 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.548 ' HA ' HD21 ' A' ' 54' ' ' LEU . 3.5 t -49.13 -24.23 1.57 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.923 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.02 -34.93 78.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.823 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.2 m -118.29 0.31 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.135 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.873 HG21 ' HB2' ' A' ' 58' ' ' ALA . 2.9 m -128.01 117.53 21.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.116 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 33' ' ' SER . 37.8 t70 -106.2 85.41 2.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.463 ' HA ' HD23 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -37.73 156.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.871 -179.751 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.5 mttt -118.3 8.24 12.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.83 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -151.73 -53.65 0.13 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.077 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.895 ' CD2' HD22 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -66.89 -70.38 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.486 ' O ' ' CB ' ' A' ' 38' ' ' SER . . . 129.65 -72.85 0.47 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.464 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 37' ' ' GLY . 2.9 t 161.02 -20.83 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.901 0.382 . . . . 0.0 110.827 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -115.13 42.57 2.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.85 ' O ' HD12 ' A' ' 53' ' ' LEU . . . -131.78 130.64 42.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.077 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.412 HG11 ' HD2' ' A' ' 10' ' ' PRO . 0.2 OUTLIER -103.27 143.91 14.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.652 ' HA3' HD21 ' A' ' 53' ' ' LEU . . . -125.37 174.71 17.45 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.486 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.446 ' O ' ' C ' ' A' ' 44' ' ' LEU . 3.2 t-160 -154.48 79.66 1.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.813 0.34 . . . . 0.0 110.861 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.973 HD22 ' CG2' ' A' ' 3' ' ' THR . 0.0 OUTLIER -34.61 109.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.404 HG23 ' H ' ' A' ' 45' ' ' THR . 0.6 OUTLIER -75.99 7.12 4.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.187 179.876 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.1 tptt -88.92 -39.74 13.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.964 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.548 ' SG ' ' CD2' ' A' ' 49' ' ' HIS . 7.3 p -125.0 -15.41 6.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 1.5 m 83.33 40.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.558 ' CE1' ' HG ' ' A' ' 73' ' ' SER . 8.1 m170 -111.93 131.78 55.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.606 ' C ' ' CG ' ' A' ' 51' ' ' PHE . . . -106.97 166.04 10.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.131 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 1.021 ' CD2' HD11 ' A' ' 56' ' ' LEU . 0.0 OUTLIER 167.36 166.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 -179.919 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.544 ' CE1' ' O ' ' A' ' 24' ' ' ALA . 48.4 m170 -61.29 100.79 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.85 HD12 ' O ' ' A' ' 40' ' ' ALA . 8.0 mt -37.92 -60.47 0.73 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.563 ' C ' HD12 ' A' ' 54' ' ' LEU . 1.0 OUTLIER -45.5 -67.23 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.495 ' SG ' ' CB ' ' A' ' 25' ' ' SER . 71.6 m -38.49 -45.18 1.02 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 1.021 HD11 ' CD2' ' A' ' 51' ' ' PHE . 10.0 mt -65.36 -57.8 7.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.895 HD22 ' CD2' ' A' ' 36' ' ' LEU . 22.3 tp -37.3 -28.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.961 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.873 ' HB2' HG21 ' A' ' 31' ' ' THR . . . -74.5 -44.55 50.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.097 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.502 ' N ' ' O ' ' A' ' 56' ' ' LEU . 2.3 ppp? -90.23 -7.87 52.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.509 ' C ' ' CD2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -69.66 -16.36 63.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 -179.833 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.48 -10.7 3.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -97.49 -58.02 2.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.892 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 64' ' ' ASN . . . -108.86 177.13 20.31 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.451 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.482 ' O ' ' CE1' ' A' ' 60' ' ' TYR . 20.9 m-20 34.12 57.73 0.62 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.867 0.365 . . . . 0.0 110.9 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.2 105.91 18.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.441 ' CB ' ' OH ' ' A' ' 2' ' ' TYR . 4.2 t0 -155.33 -36.47 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 144.36 40.25 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.474 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.74 ' HB2' HD13 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -150.21 -89.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.997 0.427 . . . . 0.0 110.898 -179.828 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.779 HD22 ' C ' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -172.0 -179.65 2.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.909 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.609 ' O ' HD22 ' A' ' 56' ' ' LEU . 10.1 tt0 -135.13 151.63 50.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.472 ' N ' ' HG2' ' A' ' 70' ' ' GLN . 12.7 t -93.94 105.72 18.43 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.624 0.726 . . . . 0.0 110.851 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.538 ' HG3' HD11 ' A' ' 16' ' ' ILE . 54.1 Cg_endo -69.7 -27.68 26.48 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.735 2.29 . . . . 0.0 112.341 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.558 ' HG ' ' CE1' ' A' ' 49' ' ' HIS . 0.3 OUTLIER -50.7 -65.24 0.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.855 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 14.5 p -114.79 23.55 12.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? 47.03 62.11 2.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.135 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 9.2 m120 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.749 0.309 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.752 ' O ' HG23 ' A' ' 45' ' ' THR . 0.2 OUTLIER -100.21 -16.55 17.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.942 -179.866 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.682 ' CG2' HD11 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -104.09 154.1 20.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.108 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.13 121.29 38.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.98 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.513 ' HG3' ' HB1' ' A' ' 40' ' ' ALA . 35.4 tt0 -38.97 145.5 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.526 ' HB2' HG13 ' A' ' 41' ' ' VAL . 3.4 mt -107.94 114.04 27.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.79 -13.53 1.81 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.962 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -157.45 159.23 30.92 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.671 0.748 . . . . 0.0 111.028 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 127.71 14.98 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.687 2.258 . . . . 0.0 112.291 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.47 ' O ' ' CB ' ' A' ' 11' ' ' ASP . 54.5 Cg_endo -69.79 -90.84 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.646 2.231 . . . . 0.0 112.386 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.47 ' CB ' ' O ' ' A' ' 10' ' ' PRO . 2.6 m-20 163.13 35.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.802 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.85 -22.89 10.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.428 ' C ' ' HG ' ' A' ' 21' ' ' LEU . 1.4 m-20 64.88 129.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.822 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.59 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 49.4 t -42.12 163.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.48 HD13 ' C ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -119.34 -24.56 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.177 179.874 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.992 HD11 HD23 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -71.33 -66.78 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.887 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 18' ' ' MET . 17.3 p -90.76 22.73 3.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.841 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.432 ' C ' ' O ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER 35.27 43.78 0.14 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.407 ' CB ' ' SG ' ' A' ' 17' ' ' CYS . 16.3 tp10 -118.42 156.63 28.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.426 ' CB ' ' OG1' ' A' ' 23' ' ' THR . 0.0 OUTLIER -52.61 148.11 7.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.95 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.764 HD21 ' CA ' ' A' ' 51' ' ' PHE . 9.8 mt -77.91 4.47 11.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -119.65 -22.13 7.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.426 ' OG1' ' CB ' ' A' ' 20' ' ' LYS . 0.8 OUTLIER -83.97 31.98 0.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.161 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 56.28 176.36 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.501 ' HB3' HD23 ' A' ' 54' ' ' LEU . 1.7 t -75.91 152.94 37.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.806 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -95.67 -16.06 40.84 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.447 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.434 ' O ' ' N ' ' A' ' 29' ' ' ASP . 12.0 m-30 -85.58 -6.64 59.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.874 0.369 . . . . 0.0 110.914 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.6 ' HA ' HD21 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -41.29 -25.48 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.842 -179.867 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 27' ' ' TYR . 0.9 OUTLIER -57.14 -58.95 5.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.852 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.486 ' O ' ' N ' ' A' ' 32' ' ' ASP . 40.0 t -86.86 -69.17 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.126 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.85 ' OG1' HD11 ' A' ' 54' ' ' LEU . 33.1 p -41.02 91.9 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 30' ' ' VAL . 0.5 OUTLIER -94.48 68.39 3.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.856 179.895 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.698 ' CB ' HD12 ' A' ' 36' ' ' LEU . 5.0 p -75.85 168.64 19.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.11 39.87 3.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -158.45 -36.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.132 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 1.017 HD11 HD22 ' A' ' 57' ' ' LEU . 1.1 mt -77.06 -28.38 54.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.7 16.15 5.27 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.3 p 46.31 54.88 7.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.932 0.396 . . . . 0.0 110.86 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -177.42 56.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.861 ' O ' HD12 ' A' ' 53' ' ' LEU . . . -161.27 92.32 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.06 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.526 HG13 ' HB2' ' A' ' 6' ' ' LEU . 0.7 OUTLIER -87.14 131.74 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -141.1 130.98 4.69 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.522 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.445 ' O ' ' ND1' ' A' ' 43' ' ' HIS . 16.3 p80 -79.61 132.89 36.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.771 0.319 . . . . 0.0 110.868 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.726 HD11 HD23 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -69.45 107.66 3.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.915 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.752 HG23 ' O ' ' A' ' 2' ' ' TYR . 73.6 p -41.0 -29.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.15 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -54.59 -69.81 0.12 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 31.1 p -108.31 -31.39 7.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 44' ' ' LEU . 22.7 m 66.24 83.23 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.837 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.682 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 27.1 m170 -118.79 -27.49 5.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.682 ' HB3' ' O ' ' A' ' 49' ' ' HIS . . . 84.84 138.64 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.101 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.818 ' HB2' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -170.7 -157.14 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.909 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.59 ' CE1' ' HB2' ' A' ' 14' ' ' CYS . 30.8 m170 -111.33 97.54 6.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.861 HD12 ' O ' ' A' ' 40' ' ' ALA . 37.7 mt -35.87 -33.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.913 ' O ' HD12 ' A' ' 54' ' ' LEU . 0.5 OUTLIER -69.2 -48.67 61.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.976 179.805 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.726 ' C ' HD12 ' A' ' 16' ' ' ILE . 26.5 m -69.05 -38.72 79.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.992 HD23 HD11 ' A' ' 16' ' ' ILE . 29.5 mt -61.15 -38.01 84.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 1.017 HD22 HD11 ' A' ' 36' ' ' LEU . 26.9 tp -58.22 -31.29 67.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.953 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.79 -54.94 5.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.9 tmm? -57.51 -40.2 78.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.951 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.657 ' C ' ' CD1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -47.55 -19.9 0.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.977 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.9 p -57.97 -11.95 2.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -97.48 -63.65 1.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 64' ' ' ASN . . . -115.77 -165.41 14.43 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.488 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.487 ' ND2' ' OE1' ' A' ' 70' ' ' GLN . 6.5 m-20 34.34 46.45 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.889 0.376 . . . . 0.0 110.87 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.568 ' HA ' ' CE2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -84.96 80.91 9.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.84 -45.63 1.88 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 150.24 43.92 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.485 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.695 ' C ' HD13 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -154.97 -74.19 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.905 0.384 . . . . 0.0 110.869 -179.723 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.726 HD23 HD11 ' A' ' 44' ' ' LEU . 0.0 OUTLIER 176.47 -173.64 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.934 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.487 ' OE1' ' ND2' ' A' ' 64' ' ' ASN . 4.1 tp60 -132.49 157.95 43.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.473 ' O ' ' N ' ' A' ' 75' ' ' LYS . 39.1 t -91.89 106.53 17.66 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.585 0.707 . . . . 0.0 110.887 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.85 ' HD3' HD22 ' A' ' 56' ' ' LEU . 52.9 Cg_endo -69.83 -8.34 23.35 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.651 2.234 . . . . 0.0 112.32 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.42 ' HB3' ' ND1' ' A' ' 49' ' ' HIS . 28.3 t -81.62 -48.39 11.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 20.5 p -136.92 28.65 2.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 71' ' ' CYS . 14.7 mmtt 48.9 18.5 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.449 ' C ' ' OE1' ' A' ' 70' ' ' GLN . 0.7 OUTLIER . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . 1.028 ' H3 ' HD13 ' A' ' 53' ' ' LEU . 35.5 t-20 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.849 0.357 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.643 ' CE2' ' CG ' ' A' ' 1' ' ' ASN . 0.2 OUTLIER -110.29 2.9 19.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.899 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.766 HG22 HD12 ' A' ' 44' ' ' LEU . 1.7 p -119.64 140.93 49.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.147 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.566 ' HB3' ' CE1' ' A' ' 43' ' ' HIS . 6.7 tt0 -34.05 93.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.953 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 3' ' ' THR . 3.0 tt0 -58.25 143.3 44.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.811 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 8' ' ' VAL . 14.3 mt -94.7 111.63 23.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.934 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 6' ' ' LEU . 18.5 tttt -36.91 -28.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.605 HG12 ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -145.04 165.88 20.33 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.641 0.734 . . . . 0.0 111.127 179.875 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.605 ' HD2' HG12 ' A' ' 8' ' ' VAL . 54.0 Cg_endo -69.73 132.9 24.36 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.725 2.283 . . . . 0.0 112.339 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.735 ' HG2' HD13 ' A' ' 21' ' ' LEU . 54.4 Cg_endo -69.7 -163.98 0.12 Allowed 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.7 2.266 . . . . 0.0 112.354 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -132.31 46.74 2.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.809 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.522 ' O ' ' CB ' ' A' ' 13' ' ' ASP . 1.5 mp0 -120.78 -97.82 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.522 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 2.5 m-20 159.51 149.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.849 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.468 ' HB2' ' CE1' ' A' ' 52' ' ' HIS . 42.7 t -66.54 148.81 51.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.427 HD11 ' HD1' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -97.48 -22.84 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.07 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.531 HD11 ' CD2' ' A' ' 56' ' ' LEU . 1.1 mm -76.8 -70.78 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.081 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 25.4 p -79.53 -8.59 59.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.66 14.51 6.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.875 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -88.43 -178.36 5.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.825 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.553 ' HB2' HG23 ' A' ' 23' ' ' THR . 0.6 OUTLIER -71.55 133.05 45.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.88 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.735 HD13 ' HG2' ' A' ' 10' ' ' PRO . 6.4 mt -63.91 -8.08 10.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.2 t -102.37 -24.45 13.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.629 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 40.2 p -77.87 7.6 5.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.142 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.899 ' HB2' HD23 ' A' ' 39' ' ' LEU . . . 80.5 -176.89 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.11 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.414 ' HA ' ' ND1' ' A' ' 52' ' ' HIS . 18.9 p -81.3 115.36 20.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.11 -20.0 25.99 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.509 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.491 ' HB2' ' CD1' ' A' ' 54' ' ' LEU . 4.4 m-30 -73.64 -16.48 61.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.827 0.346 . . . . 0.0 110.91 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 77.6 p -50.18 -24.25 2.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.814 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.26 -27.23 30.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.607 HG12 ' N ' ' A' ' 31' ' ' THR . 22.6 t -103.68 -80.98 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.083 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.7 HG21 ' HB2' ' A' ' 58' ' ' ALA . 72.5 p -44.84 102.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -77.38 54.75 1.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.8 127.39 40.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.99 30.84 6.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -115.65 -33.62 5.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.082 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.762 HD11 ' HG ' ' A' ' 57' ' ' LEU . 2.5 mp -85.28 -67.8 0.78 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 146.98 -36.76 1.2 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.435 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.435 ' HA ' ' CB ' ' A' ' 54' ' ' LEU . 2.5 p 67.07 14.6 9.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.881 0.372 . . . . 0.0 110.85 -179.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.899 HD23 ' HB2' ' A' ' 24' ' ' ALA . 2.9 mt -149.9 52.9 0.92 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.405 ' HB3' HD12 ' A' ' 53' ' ' LEU . . . -150.92 155.83 39.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.127 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.646 HG11 ' HG3' ' A' ' 10' ' ' PRO . 21.6 t -124.21 131.07 73.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.192 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.41 ' C ' ' OG1' ' A' ' 3' ' ' THR . . . -154.34 139.04 6.5 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.462 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.602 ' O ' ' CD2' ' A' ' 43' ' ' HIS . 16.3 p-80 -95.42 115.94 28.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.867 0.365 . . . . 0.0 110.891 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.806 HD23 HG22 ' A' ' 76' ' ' THR . 9.0 tp -38.02 132.62 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.96 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.401 HG23 ' H ' ' A' ' 45' ' ' THR . 0.1 OUTLIER -75.44 2.58 11.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.76 -46.35 7.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.416 ' HB2' ' NE2' ' A' ' 49' ' ' HIS . 9.3 p -115.58 -16.82 11.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.408 ' OG ' ' C ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER 59.16 72.94 0.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.758 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.717 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 21.6 m170 -117.29 -101.11 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.717 ' HB2' ' O ' ' A' ' 49' ' ' HIS . . . 158.79 130.88 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.929 ' CD2' HD11 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -177.29 169.88 2.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.796 -179.928 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.485 ' CE1' ' O ' ' A' ' 24' ' ' ALA . 31.6 m170 -74.7 101.56 4.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.836 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 1.028 HD13 ' H3 ' ' A' ' 1' ' ' ASN . 5.8 mt -36.11 -48.68 0.62 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.73 HD13 ' N ' ' A' ' 55' ' ' CYS . 2.2 tm? -56.87 -70.06 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.73 ' N ' HD13 ' A' ' 54' ' ' LEU . 57.7 m -35.69 -46.26 0.42 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.929 HD11 ' CD2' ' A' ' 51' ' ' PHE . 6.8 mt -60.42 -56.41 21.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.762 ' HG ' HD11 ' A' ' 36' ' ' LEU . 2.8 tm? -46.04 -20.62 0.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.7 ' HB2' HG21 ' A' ' 31' ' ' THR . . . -75.14 -66.45 0.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.061 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.8 ptm -75.27 -8.46 56.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.94 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.561 ' CD2' ' HA ' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -57.31 -25.36 59.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.97 -179.899 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -9.21 3.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.921 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -88.2 -54.36 4.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -134.25 -171.03 12.44 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.478 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 76' ' ' THR . 7.1 t-20 69.88 -69.28 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.851 0.358 . . . . 0.0 110.89 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.469 ' HA ' ' CE2' ' A' ' 60' ' ' TYR . 9.4 mmmt 34.34 87.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -160.95 57.41 0.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.508 ' O ' ' CD1' ' A' ' 2' ' ' TYR . . . 44.67 51.21 8.15 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.506 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.584 ' HA ' ' CE2' ' A' ' 2' ' ' TYR . 58.3 m -168.26 -98.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.924 0.392 . . . . 0.0 110.832 -179.739 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.607 HD21 HD13 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -172.33 -174.01 1.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.606 ' O ' HD13 ' A' ' 56' ' ' LEU . 4.1 tp-100 -115.28 157.75 23.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.496 ' SG ' ' CE1' ' A' ' 51' ' ' PHE . 43.4 t -98.18 111.7 60.18 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.644 0.735 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.818 ' HD3' HD22 ' A' ' 56' ' ' LEU . 53.0 Cg_endo -69.86 3.92 2.54 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.612 2.208 . . . . 0.0 112.341 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.565 ' HG ' ' CE1' ' A' ' 49' ' ' HIS . 0.0 OUTLIER -100.69 -72.22 0.68 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 -179.857 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 76' ' ' THR . 20.2 p -111.28 30.19 7.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 74' ' ' CYS . 0.1 OUTLIER 33.65 34.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.927 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.806 HG22 HD23 ' A' ' 44' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.183 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_