data_2jsv_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2jsv _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' X' X ' 1' ' ' MET . . . . . 0.691 ' O ' ' CZ ' ' X' ' 3' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 2' ' ' GLN . . . . . 0.675 ' NE2' ' H ' ' X' ' 2' ' ' GLN . 0.0 OUTLIER -91.82 136.98 32.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.459 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' X' X ' 3' ' ' TYR . . . . . 0.764 ' CD1' ' N ' ' X' ' 3' ' ' TYR . 0.0 OUTLIER -124.88 151.41 45.36 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.169 179.76 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' X' X ' 4' ' ' LYS . . . . . 0.413 ' H ' HG22 ' X' ' 51' ' ' THR . 32.5 tttm -118.21 142.24 47.67 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.357 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 5' ' ' LEU . . . . . 0.468 ' HG ' ' CD2' ' X' ' 30' ' ' PHE . 0.5 OUTLIER -113.73 121.69 44.85 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.129 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' X' X ' 6' ' ' ILE . . . . . . . . . . . . . 2.0 mm -115.51 132.2 65.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.547 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 7' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' X' ' 14' ' ' GLY . 4.4 mm? -113.68 127.73 56.15 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.847 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 8' ' ' ASN . . . . . 0.43 ' O ' ' O ' ' X' ' 12' ' ' LEU . 84.2 m-20 -128.21 -164.66 1.4 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.135 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.8 -165.82 24.12 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.846 -0.901 . . . . 0.0 110.846 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 10' ' ' LYS . . . . . 0.464 ' N ' ' HD3' ' X' ' 10' ' ' LYS . 10.7 mmtp -74.04 -61.07 1.98 Allowed 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.323 0.582 . . . . 0.0 110.36 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.14 18.44 10.78 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.711 -179.238 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 12' ' ' LEU . . . . . 0.553 ' CD1' ' C ' ' X' ' 12' ' ' LEU . 0.5 OUTLIER -125.37 105.78 9.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.846 -179.803 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -131.88 139.26 48.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.125 178.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 14' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' X' ' 7' ' ' LEU . . . -163.1 152.65 22.85 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.674 -0.97 . . . . 0.0 110.674 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -129.32 138.42 51.57 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.98 162.12 33.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.295 0.569 . . . . 0.0 111.831 -178.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -143.12 129.54 20.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.377 178.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 1.9 m -144.29 151.93 40.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.971 0.415 . . . . 0.0 110.887 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -124.25 135.55 53.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.481 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 20' ' ' ALA . . . . . 0.538 ' O ' ' SD ' ' X' ' 1' ' ' MET . . . -148.91 176.9 10.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 21' ' ' VAL . . . . . . . . . . . . . 23.0 t -71.43 -38.54 69.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.55 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 22' ' ' ASP . . . . . 0.555 ' OD1' ' N ' ' X' ' 24' ' ' ALA . 3.3 p30 -154.95 169.98 22.79 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.952 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 23' ' ' ALA . . . . . 0.564 ' O ' ' N ' ' X' ' 27' ' ' GLU . . . -72.15 -29.1 63.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.638 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 24' ' ' ALA . . . . . 0.555 ' N ' ' OD1' ' X' ' 22' ' ' ASP . . . -55.66 -37.9 68.88 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 25' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' X' ' 22' ' ' ASP . 15.3 p -76.64 -44.86 32.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.806 178.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.21 -36.49 83.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.43 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 27' ' ' GLU . . . . . 0.564 ' N ' ' O ' ' X' ' 23' ' ' ALA . 19.7 tt0 -53.92 -45.71 71.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.286 -178.626 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 9.2 mmtp -64.62 -47.09 79.84 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.84 -179.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -70.26 -36.23 66.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.774 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 30' ' ' PHE . . . . . 0.468 ' CD2' ' HG ' ' X' ' 5' ' ' LEU . 1.9 m-85 -58.95 -45.03 91.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.534 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 31' ' ' LYS . . . . . 0.536 ' NZ ' ' CG ' ' X' ' 27' ' ' GLU . 3.5 mmtp -58.31 -30.04 66.36 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.816 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 32' ' ' GLN . . . . . 0.529 ' O ' ' N ' ' X' ' 36' ' ' ASP . 4.9 tt0 -68.1 -31.23 70.69 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.334 179.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -58.74 -46.09 88.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.038 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.45 -44.54 78.4 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 39.4 t-20 -65.92 -41.64 91.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.996 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 36' ' ' ASP . . . . . 0.529 ' N ' ' O ' ' X' ' 32' ' ' GLN . 15.7 m-20 -65.13 -30.59 71.53 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 37' ' ' ASN . . . . . 0.692 ' O ' ' N ' ' X' ' 39' ' ' VAL . 2.3 m-20 -113.56 53.1 0.78 Allowed 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.374 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 38' ' ' GLY . . . . . 0.58 ' C ' ' O ' ' X' ' 37' ' ' ASN . . . 3.07 59.32 0.0 OUTLIER Glycine 0 CA--C 1.524 0.63 0 CA-C-N 115.769 -0.651 . . . . 0.0 112.353 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 39' ' ' VAL . . . . . 0.692 ' N ' ' O ' ' X' ' 37' ' ' ASN . 25.0 t -97.43 132.47 42.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.922 0.392 . . . . 0.0 110.827 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 40' ' ' ASP . . . . . 0.49 ' CG ' ' O ' ' X' ' 40' ' ' ASP . 9.8 p-10 -126.09 107.0 9.99 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.21 179.228 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . -157.38 -152.83 6.47 Favored Glycine 0 CA--C 1.517 0.209 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 42' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -102.76 142.46 33.87 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 43' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -112.88 142.63 45.32 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.755 -179.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -128.38 149.58 50.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.374 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 45' ' ' TYR . . . . . 0.738 ' CD1' ' CZ ' ' X' ' 52' ' ' PHE . 21.2 t80 -137.54 122.14 18.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.463 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -117.7 128.26 54.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.35 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -77.11 -31.98 56.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.98 0.419 . . . . 0.0 110.538 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.92 -32.29 59.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.418 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 49' ' ' THR . . . . . 0.539 ' O ' ' C ' ' X' ' 50' ' ' LYS . 0.3 OUTLIER -103.67 -2.09 27.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.33 179.848 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' X' X ' 50' ' ' LYS . . . . . 0.554 ' O ' ' CG ' ' X' ' 50' ' ' LYS . 0.0 OUTLIER 26.85 46.27 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.605 -179.655 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' X' X ' 51' ' ' THR . . . . . 0.472 ' N ' ' O ' ' X' ' 49' ' ' THR . 99.4 m -124.93 143.81 50.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.522 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 52' ' ' PHE . . . . . 0.738 ' CZ ' ' CD1' ' X' ' 45' ' ' TYR . 30.2 m-85 -115.85 132.68 56.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.354 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 53' ' ' THR . . . . . 0.401 ' CG2' ' N ' ' X' ' 54' ' ' VAL . 16.7 m -141.44 154.51 45.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.348 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 54' ' ' VAL . . . . . 0.401 ' N ' ' CG2' ' X' ' 53' ' ' THR . 0.1 OUTLIER -126.28 124.87 66.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 179.48 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' X' X ' 55' ' ' THR . . . . . . . . . . . . . 2.2 m -125.58 129.65 50.09 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.202 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.573 -179.903 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' X' X ' 1' ' ' MET . . . . . 0.68 ' O ' ' CZ ' ' X' ' 3' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 2' ' ' GLN . . . . . 0.425 ' C ' ' NE2' ' X' ' 2' ' ' GLN . 0.2 OUTLIER -92.47 118.29 30.81 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.127 -0.629 . . . . 0.0 111.435 -179.435 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' X' X ' 3' ' ' TYR . . . . . 0.68 ' CZ ' ' O ' ' X' ' 1' ' ' MET . 0.0 OUTLIER -128.7 142.55 50.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.65 179.608 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' X' X ' 4' ' ' LYS . . . . . 0.544 ' O ' ' O ' ' X' ' 52' ' ' PHE . 14.4 ttpt -118.99 139.74 51.17 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.973 179.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 5' ' ' LEU . . . . . 0.531 ' CD1' ' C ' ' X' ' 5' ' ' LEU . 3.1 tm? -117.54 112.78 21.04 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.188 0.518 . . . . 0.0 110.278 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 6' ' ' ILE . . . . . 0.468 HD11 HG22 ' X' ' 6' ' ' ILE . 10.1 mt -116.58 135.5 56.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.981 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 7' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' X' ' 14' ' ' GLY . 0.8 OUTLIER -112.23 130.08 56.05 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.35 179.188 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' X' X ' 8' ' ' ASN . . . . . 0.647 ' ND2' ' H ' ' X' ' 9' ' ' GLY . 4.9 t30 -129.16 -164.08 1.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.48 -179.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 9' ' ' GLY . . . . . 0.647 ' H ' ' ND2' ' X' ' 8' ' ' ASN . . . 133.61 -166.86 23.76 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 10' ' ' LYS . . . . . 0.449 ' N ' ' HD3' ' X' ' 10' ' ' LYS . 4.3 mmtt -74.01 -62.46 1.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.788 0.328 . . . . 0.0 110.367 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 11' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' X' ' 11' ' ' THR . 0.6 OUTLIER -117.75 21.37 12.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.318 179.722 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' X' X ' 12' ' ' LEU . . . . . 0.562 ' CD1' ' C ' ' X' ' 12' ' ' LEU . 0.2 OUTLIER -128.69 106.16 8.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.677 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' X' X ' 13' ' ' LYS . . . . . 0.408 ' N ' HD13 ' X' ' 12' ' ' LEU . 19.9 ttpt -131.92 139.22 48.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.041 0.448 . . . . 0.0 110.126 179.061 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 14' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' X' ' 7' ' ' LEU . . . -160.39 146.33 12.41 Favored Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -131.06 134.28 46.48 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 2.6 m -141.81 162.47 35.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.067 0.461 . . . . 0.0 111.3 -178.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 12.6 t -141.8 129.95 22.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.387 178.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 18' ' ' THR . . . . . 0.457 HG23 ' N ' ' X' ' 19' ' ' GLU . 1.0 OUTLIER -141.16 152.03 44.34 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.041 0.448 . . . . 0.0 110.662 -179.274 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' X' X ' 19' ' ' GLU . . . . . 0.457 ' N ' HG23 ' X' ' 18' ' ' THR . 0.6 OUTLIER -127.08 129.01 47.17 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.349 179.838 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' X' X ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.96 174.58 10.47 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.903 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 21' ' ' VAL . . . . . . . . . . . . . 7.3 p -70.95 -33.62 52.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.737 178.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 22' ' ' ASP . . . . . 0.536 ' C ' ' OH ' ' X' ' 3' ' ' TYR . 2.4 p30 -154.64 170.46 21.47 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.118 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 23' ' ' ALA . . . . . 0.435 ' HA ' ' CE2' ' X' ' 3' ' ' TYR . . . -73.58 -32.08 63.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.169 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 24' ' ' ALA . . . . . 0.423 ' N ' ' OD1' ' X' ' 22' ' ' ASP . . . -56.07 -37.45 69.33 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 25' ' ' THR . . . . . 0.417 ' N ' ' OD1' ' X' ' 22' ' ' ASP . 0.7 OUTLIER -76.53 -46.2 27.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.12 179.239 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' X' X ' 26' ' ' ALA . . . . . 0.512 ' O ' ' CD2' ' X' ' 30' ' ' PHE . . . -59.6 -35.68 74.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.522 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 27' ' ' GLU . . . . . 0.635 ' O ' ' CG ' ' X' ' 31' ' ' LYS . 27.2 tt0 -53.67 -44.33 69.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.217 -179.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 10.6 mmtt -72.32 -38.86 68.56 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.373 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 59.3 t -71.46 -54.98 15.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -177.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 30' ' ' PHE . . . . . 0.523 ' CD1' ' C ' ' X' ' 30' ' ' PHE . 2.5 p90 -74.71 -29.47 61.2 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 119.891 -0.724 . . . . 0.0 112.547 -178.041 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 31' ' ' LYS . . . . . 0.635 ' CG ' ' O ' ' X' ' 27' ' ' GLU . 45.3 mmtt -55.27 -30.46 60.16 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 119.766 -0.774 . . . . 0.0 108.931 179.537 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 32' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' X' ' 36' ' ' ASP . 17.7 tt0 -61.29 -28.91 69.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.35 179.188 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -57.08 -46.19 82.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.67 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.84 -47.97 76.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.01 0.434 . . . . 0.0 109.884 179.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -63.8 -38.1 89.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.965 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 36' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' X' ' 32' ' ' GLN . 17.7 t70 -62.55 -28.69 70.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.525 179.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 37' ' ' ASN . . . . . 0.708 ' O ' ' N ' ' X' ' 39' ' ' VAL . 31.7 m120 -118.25 53.02 0.98 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.209 -0.905 . . . . 0.0 108.59 179.354 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 38' ' ' GLY . . . . . 0.581 ' C ' ' O ' ' X' ' 37' ' ' ASN . . . 0.98 60.97 0.0 OUTLIER Glycine 0 CA--C 1.523 0.594 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.242 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 39' ' ' VAL . . . . . 0.708 ' N ' ' O ' ' X' ' 37' ' ' ASN . 47.4 t -98.15 138.15 23.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.943 0.401 . . . . 0.0 110.864 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -126.17 108.11 11.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.292 179.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . -155.44 -154.54 6.97 Favored Glycine 0 CA--C 1.518 0.242 0 N-CA-C 111.261 -0.735 . . . . 0.0 111.261 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 42' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -102.83 137.46 41.02 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 43' ' ' TRP . . . . . 0.478 ' HE1' ' HB3' ' X' ' 52' ' ' PHE . 0.5 OUTLIER -113.18 144.75 42.14 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.301 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.64 147.73 52.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.486 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 45' ' ' TYR . . . . . 0.731 ' CD1' ' CZ ' ' X' ' 52' ' ' PHE . 3.9 t80 -135.03 121.63 20.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.22 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -115.99 129.36 56.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.589 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 47' ' ' ASP . . . . . 0.574 ' OD1' ' N ' ' X' ' 48' ' ' ALA . 45.2 p-10 -76.74 -30.28 56.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.738 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 48' ' ' ALA . . . . . 0.574 ' N ' ' OD1' ' X' ' 47' ' ' ASP . . . -72.37 -31.79 65.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.779 -179.517 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 49' ' ' THR . . . . . 0.479 ' O ' ' C ' ' X' ' 50' ' ' LYS . 0.2 OUTLIER -110.51 -3.31 16.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.773 -179.901 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' X' X ' 50' ' ' LYS . . . . . 0.479 ' C ' ' O ' ' X' ' 49' ' ' THR . 1.8 ptpt 34.69 44.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.45 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 51' ' ' THR . . . . . . . . . . . . . 3.0 m -126.52 139.26 53.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.689 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 52' ' ' PHE . . . . . 0.731 ' CZ ' ' CD1' ' X' ' 45' ' ' TYR . 4.4 m-85 -120.2 132.07 55.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.388 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 53' ' ' THR . . . . . 0.504 ' CG2' ' N ' ' X' ' 54' ' ' VAL . 1.4 m -144.45 159.06 43.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.032 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 54' ' ' VAL . . . . . 0.504 ' N ' ' CG2' ' X' ' 53' ' ' THR . 0.9 OUTLIER -128.2 125.8 64.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.735 179.83 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' X' X ' 55' ' ' THR . . . . . . . . . . . . . 3.0 m -125.82 129.84 50.2 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.06 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.616 -179.908 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' X' X ' 1' ' ' MET . . . . . 0.706 ' O ' ' CE1' ' X' ' 3' ' ' TYR . 1.2 ptt? . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 2' ' ' GLN . . . . . 0.64 ' CD ' ' H ' ' X' ' 2' ' ' GLN . 0.0 OUTLIER -91.82 129.98 37.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.968 0.413 . . . . 0.0 110.818 -179.761 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' X' X ' 3' ' ' TYR . . . . . 0.706 ' CE1' ' O ' ' X' ' 1' ' ' MET . 0.0 OUTLIER -123.35 151.21 42.73 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.955 179.32 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' X' X ' 4' ' ' LYS . . . . . 0.485 ' O ' ' O ' ' X' ' 52' ' ' PHE . 15.0 mmtp -118.22 143.18 46.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.259 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 5' ' ' LEU . . . . . 0.497 ' CD1' ' C ' ' X' ' 5' ' ' LEU . 3.1 tm? -117.46 114.61 23.75 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.468 -179.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 6' ' ' ILE . . . . . 0.477 ' H ' HG22 ' X' ' 53' ' ' THR . 8.1 mm -116.55 132.41 66.29 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.232 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.041 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 7' ' ' LEU . . . . . 0.546 ' N ' ' O ' ' X' ' 14' ' ' GLY . 0.8 OUTLIER -114.01 129.68 56.59 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.419 179.38 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' X' X ' 8' ' ' ASN . . . . . 0.513 ' O ' ' O ' ' X' ' 12' ' ' LEU . 21.7 m120 -126.72 -164.91 1.39 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.422 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.24 -169.15 22.76 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 10' ' ' LYS . . . . . 0.481 ' N ' ' HD3' ' X' ' 10' ' ' LYS . 14.1 mmtt -71.53 -57.78 4.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.906 0.384 . . . . 0.0 110.295 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -124.5 5.41 8.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.422 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 12' ' ' LEU . . . . . 0.561 ' CD1' ' C ' ' X' ' 12' ' ' LEU . 0.8 OUTLIER -107.89 105.86 15.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.739 -179.913 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 11.0 ttmt -133.69 139.7 46.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.997 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 14' ' ' GLY . . . . . 0.546 ' O ' ' N ' ' X' ' 7' ' ' LEU . . . -160.94 143.16 8.67 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -132.52 135.96 46.32 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 16' ' ' THR . . . . . 0.567 ' CG2' ' N ' ' X' ' 17' ' ' THR . 1.0 OUTLIER -142.25 164.23 30.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.945 0.402 . . . . 0.0 111.003 -178.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' X' X ' 17' ' ' THR . . . . . 0.567 ' N ' ' CG2' ' X' ' 16' ' ' THR . 0.1 OUTLIER -137.89 130.46 29.53 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.654 179.428 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 1.8 m -145.49 150.25 36.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.949 0.404 . . . . 0.0 110.895 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -124.17 132.51 53.63 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.01 179.353 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.64 176.56 8.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.14 0.495 . . . . 0.0 111.254 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 21' ' ' VAL . . . . . 0.412 ' HA ' ' SD ' ' X' ' 1' ' ' MET . 29.3 m -71.44 -37.41 64.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.698 179.074 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 22' ' ' ASP . . . . . 0.543 ' C ' ' OH ' ' X' ' 3' ' ' TYR . 2.6 p30 -154.65 171.73 19.03 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.088 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.63 -29.9 63.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.443 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 24' ' ' ALA . . . . . 0.52 ' N ' ' OD1' ' X' ' 22' ' ' ASP . . . -55.85 -38.37 69.98 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 25' ' ' THR . . . . . . . . . . . . . 1.6 p -77.58 -43.74 30.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.977 178.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 26' ' ' ALA . . . . . 0.473 ' O ' ' CD2' ' X' ' 30' ' ' PHE . . . -57.43 -34.64 69.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.491 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 27' ' ' GLU . . . . . 0.54 ' OE1' ' C ' ' X' ' 27' ' ' GLU . 0.5 OUTLIER -52.45 -40.5 62.34 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.164 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' X' X ' 28' ' ' LYS . . . . . 0.511 ' N ' ' HG3' ' X' ' 27' ' ' GLU . 0.4 OUTLIER -72.25 -39.83 68.13 Favored 'General case' 0 C--N 1.317 -0.832 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.885 179.854 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 98.5 t -73.03 -56.16 10.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 113.507 0.929 . . . . 0.0 113.507 -178.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 30' ' ' PHE . . . . . 0.686 ' CD1' ' N ' ' X' ' 31' ' ' LYS . 3.7 p90 -75.09 -41.98 57.62 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 120.149 -0.62 . . . . 0.0 112.535 -177.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 31' ' ' LYS . . . . . 0.686 ' N ' ' CD1' ' X' ' 30' ' ' PHE . 1.8 tppp? -55.87 -29.14 59.45 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 119.733 -0.787 . . . . 0.0 109.168 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 32' ' ' GLN . . . . . 0.558 ' O ' ' N ' ' X' ' 36' ' ' ASP . 18.9 tt0 -60.88 -30.02 69.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.243 178.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -57.94 -46.1 85.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.524 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.02 -47.16 75.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.019 0.438 . . . . 0.0 110.047 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 35' ' ' ASN . . . . . 0.537 HD21 ' N ' ' X' ' 35' ' ' ASN . 1.7 m120 -67.72 -39.9 84.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.48 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 36' ' ' ASP . . . . . 0.558 ' N ' ' O ' ' X' ' 32' ' ' GLN . 44.8 t0 -66.79 -29.65 69.65 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.043 179.677 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 37' ' ' ASN . . . . . 0.683 ' O ' ' N ' ' X' ' 39' ' ' VAL . 7.4 t-20 -110.63 54.07 0.68 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.286 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 38' ' ' GLY . . . . . 0.575 ' C ' ' O ' ' X' ' 37' ' ' ASN . . . 4.18 58.94 0.0 OUTLIER Glycine 0 CA--C 1.524 0.636 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.506 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 39' ' ' VAL . . . . . 0.683 ' N ' ' O ' ' X' ' 37' ' ' ASN . 5.0 t -94.45 130.95 42.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.496 179.528 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -123.73 107.56 11.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.009 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . -160.47 -144.95 4.13 Favored Glycine 0 CA--C 1.517 0.193 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 42' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -101.54 139.54 37.06 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 178.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 43' ' ' TRP . . . . . 0.606 ' CZ2' ' CG2' ' X' ' 54' ' ' VAL . 0.1 OUTLIER -109.85 139.54 44.81 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.949 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.87 166.77 20.16 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.711 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 45' ' ' TYR . . . . . 0.797 ' CD1' ' CE2' ' X' ' 52' ' ' PHE . 3.5 t80 -157.89 135.59 10.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.451 179.459 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 46' ' ' ASP . . . . . 0.588 ' N ' ' CD1' ' X' ' 45' ' ' TYR . 5.4 m-20 -121.55 118.88 30.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.544 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -77.07 -30.38 55.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.548 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.46 -33.34 42.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.735 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 49' ' ' THR . . . . . 0.483 ' C ' ' CG ' ' X' ' 50' ' ' LYS . 3.6 p -101.89 -0.26 34.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.703 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 50' ' ' LYS . . . . . 0.483 ' CG ' ' C ' ' X' ' 49' ' ' THR . 3.2 pttm 36.74 35.9 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.752 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 51' ' ' THR . . . . . 0.454 ' HB ' ' HG1' ' X' ' 49' ' ' THR . 11.5 m -114.71 137.35 52.02 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.172 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 52' ' ' PHE . . . . . 0.797 ' CE2' ' CD1' ' X' ' 45' ' ' TYR . 81.3 m-85 -118.81 131.31 56.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.599 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 53' ' ' THR . . . . . 0.477 HG22 ' H ' ' X' ' 6' ' ' ILE . 39.9 p -146.91 159.78 43.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.673 -179.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 54' ' ' VAL . . . . . 0.606 ' CG2' ' CZ2' ' X' ' 43' ' ' TRP . 1.7 t -127.06 128.32 70.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 179.345 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 55' ' ' THR . . . . . . . . . . . . . 2.8 m -125.24 129.26 49.7 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.385 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.451 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 1' ' ' MET . . . . . 0.748 ' N ' ' SD ' ' X' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 2' ' ' GLN . . . . . 0.673 ' OE1' ' N ' ' X' ' 1' ' ' MET . 0.0 OUTLIER -91.95 120.6 32.76 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.694 -179.705 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' X' X ' 3' ' ' TYR . . . . . 0.703 ' CZ ' ' O ' ' X' ' 1' ' ' MET . 0.0 OUTLIER -122.94 139.32 54.18 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.734 179.759 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' X' X ' 4' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' X' ' 52' ' ' PHE . 25.1 tttt -118.14 140.01 50.41 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.039 179.565 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 5' ' ' LEU . . . . . 0.441 ' CD1' ' C ' ' X' ' 5' ' ' LEU . 2.8 tm? -114.75 111.7 21.67 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.085 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 6' ' ' ILE . . . . . 0.482 ' H ' HG21 ' X' ' 53' ' ' THR . 2.0 mm -115.6 130.5 70.12 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.292 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.819 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 mp -113.78 130.56 56.43 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.485 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 8' ' ' ASN . . . . . 0.5 ' O ' ' O ' ' X' ' 12' ' ' LEU . 0.4 OUTLIER -124.82 -163.98 1.23 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.024 179.783 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . 134.38 -173.53 21.37 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.676 -0.969 . . . . 0.0 110.676 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 10' ' ' LYS . . . . . 0.477 ' HG2' ' H ' ' X' ' 11' ' ' THR . 0.0 OUTLIER -69.24 -56.13 8.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.842 0.354 . . . . 0.0 110.68 -179.843 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' X' X ' 11' ' ' THR . . . . . 0.477 ' H ' ' HG2' ' X' ' 10' ' ' LYS . 1.5 t -123.65 8.74 8.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.523 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 12' ' ' LEU . . . . . 0.5 ' O ' ' O ' ' X' ' 8' ' ' ASN . 0.4 OUTLIER -115.53 106.03 13.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.076 -179.72 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 16.3 ttpp -130.76 139.34 50.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.627 178.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -159.58 147.37 14.54 Favored Glycine 0 CA--C 1.521 0.451 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -138.33 135.92 35.87 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 16' ' ' THR . . . . . 0.589 ' CG2' ' N ' ' X' ' 17' ' ' THR . 1.9 m -140.21 163.2 33.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.134 0.492 . . . . 0.0 111.248 -178.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 17' ' ' THR . . . . . 0.589 ' N ' ' CG2' ' X' ' 16' ' ' THR . 2.1 p -139.18 130.64 27.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.896 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 1.8 m -146.33 151.8 38.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.026 0.441 . . . . 0.0 111.069 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 19' ' ' GLU . . . . . 0.67 ' OE1' ' N ' ' X' ' 20' ' ' ALA . 0.4 OUTLIER -125.32 133.86 52.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.01 179.453 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' X' X ' 20' ' ' ALA . . . . . 0.67 ' N ' ' OE1' ' X' ' 19' ' ' GLU . . . -143.77 176.64 9.09 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.182 0.515 . . . . 0.0 111.219 -179.471 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 21' ' ' VAL . . . . . 0.46 HG13 ' H ' ' X' ' 22' ' ' ASP . 7.2 p -72.33 -36.98 57.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.1 179.352 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 22' ' ' ASP . . . . . 0.534 ' C ' ' OH ' ' X' ' 3' ' ' TYR . 2.4 p30 -152.88 170.82 19.41 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.291 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 23' ' ' ALA . . . . . 0.469 ' HA ' ' CE2' ' X' ' 3' ' ' TYR . . . -73.01 -30.01 63.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.723 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 24' ' ' ALA . . . . . 0.511 ' N ' ' OD1' ' X' ' 22' ' ' ASP . . . -55.63 -36.61 67.19 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.97 -44.62 30.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.114 178.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 26' ' ' ALA . . . . . 0.601 ' O ' ' CD2' ' X' ' 30' ' ' PHE . . . -61.09 -36.08 78.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.465 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 27' ' ' GLU . . . . . 0.555 ' O ' ' OE1' ' X' ' 27' ' ' GLU . 0.0 OUTLIER -53.96 -41.3 67.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.452 -179.626 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' X' X ' 28' ' ' LYS . . . . . 0.476 ' N ' ' HG3' ' X' ' 27' ' ' GLU . 0.0 OUTLIER -74.14 -40.88 62.32 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.351 -179.7 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 79.5 t -71.99 -55.26 14.02 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 N-CA-C 113.48 0.919 . . . . 0.0 113.48 -178.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 30' ' ' PHE . . . . . 0.601 ' CD2' ' O ' ' X' ' 26' ' ' ALA . 3.5 p90 -74.48 -31.71 62.3 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 120.046 -0.661 . . . . 0.0 112.631 -177.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 31' ' ' LYS . . . . . 0.543 ' NZ ' ' CE3' ' X' ' 43' ' ' TRP . 10.9 tppt? -55.97 -29.94 61.0 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 119.85 -0.74 . . . . 0.0 109.108 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -61.88 -29.51 70.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.744 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -57.58 -46.56 83.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 -179.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.26 -47.14 77.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.946 0.403 . . . . 0.0 110.212 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 45.9 t-20 -64.21 -41.25 97.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.458 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -66.72 -30.45 70.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.129 0.49 . . . . 0.0 109.949 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 37' ' ' ASN . . . . . 0.696 ' O ' ' N ' ' X' ' 39' ' ' VAL . 1.5 m-80 -110.98 53.31 0.71 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 179.457 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 38' ' ' GLY . . . . . 0.586 ' C ' ' O ' ' X' ' 37' ' ' ASN . . . 3.9 59.27 0.0 OUTLIER Glycine 0 CA--C 1.524 0.599 0 CA-C-N 115.868 -0.605 . . . . 0.0 112.141 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 39' ' ' VAL . . . . . 0.696 ' N ' ' O ' ' X' ' 37' ' ' ASN . 56.0 t -95.38 129.69 45.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.967 0.413 . . . . 0.0 110.717 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -125.26 107.36 10.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.124 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . -157.52 -151.74 6.12 Favored Glycine 0 CA--C 1.519 0.298 0 N-CA-C 111.089 -0.805 . . . . 0.0 111.089 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 42' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -102.37 138.08 39.78 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 179.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 43' ' ' TRP . . . . . 0.543 ' CE3' ' NZ ' ' X' ' 31' ' ' LYS . 0.7 OUTLIER -113.0 141.44 46.84 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.577 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.36 155.53 45.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.956 179.341 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 45' ' ' TYR . . . . . 0.706 ' CD1' ' CE2' ' X' ' 52' ' ' PHE . 1.5 t80 -141.29 127.41 19.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.962 0.411 . . . . 0.0 110.911 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 46' ' ' ASP . . . . . 0.572 ' N ' ' CD1' ' X' ' 45' ' ' TYR . 1.4 m-20 -116.91 122.51 44.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.237 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 47' ' ' ASP . . . . . 0.605 ' OD1' ' N ' ' X' ' 48' ' ' ALA . 6.1 p30 -76.45 -28.67 56.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.829 -179.626 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 48' ' ' ALA . . . . . 0.605 ' N ' ' OD1' ' X' ' 47' ' ' ASP . . . -74.73 -32.32 62.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.786 -179.511 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 49' ' ' THR . . . . . . . . . . . . . 3.0 p -110.19 -3.93 16.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.699 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 50' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' X' ' 46' ' ' ASP . 0.0 OUTLIER 40.84 41.43 1.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.271 -179.784 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' X' X ' 51' ' ' THR . . . . . . . . . . . . . 99.5 m -118.1 134.61 54.83 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.847 0.356 . . . . 0.0 111.074 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 52' ' ' PHE . . . . . 0.706 ' CE2' ' CD1' ' X' ' 45' ' ' TYR . 38.7 m-85 -118.62 132.04 56.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.144 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 53' ' ' THR . . . . . 0.482 HG21 ' H ' ' X' ' 6' ' ' ILE . 57.2 p -143.41 155.79 44.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.541 -179.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 54' ' ' VAL . . . . . 0.476 HG22 ' CZ3' ' X' ' 43' ' ' TRP . 0.6 OUTLIER -129.54 126.62 63.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.862 0.363 . . . . 0.0 110.438 179.653 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' X' X ' 55' ' ' THR . . . . . . . . . . . . . 2.9 m -125.36 131.32 53.0 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.069 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.621 -179.805 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' X' X ' 1' ' ' MET . . . . . 0.708 ' O ' ' CZ ' ' X' ' 3' ' ' TYR . 4.7 ptm . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 2' ' ' GLN . . . . . 0.635 ' NE2' ' O ' ' X' ' 2' ' ' GLN . 1.4 pm0 -92.7 131.77 37.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.801 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 3' ' ' TYR . . . . . 0.731 ' CD1' ' N ' ' X' ' 3' ' ' TYR . 0.0 OUTLIER -125.24 150.94 46.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.141 179.757 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 20.5 ttpt -118.91 139.47 51.59 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.77 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 5' ' ' LEU . . . . . 0.532 ' CD1' ' C ' ' X' ' 5' ' ' LEU . 2.6 tm? -114.43 117.6 31.46 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.371 179.279 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 6' ' ' ILE . . . . . 0.461 ' N ' HD21 ' X' ' 5' ' ' LEU . 2.0 mm -115.69 134.17 59.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 -179.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 7' ' ' LEU . . . . . 0.476 HD11 ' CD1' ' X' ' 33' ' ' TYR . 26.2 mt -113.02 122.15 46.75 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.446 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 8' ' ' ASN . . . . . 0.544 ' C ' ' O ' ' X' ' 12' ' ' LEU . 5.4 m-20 -124.84 -164.51 1.28 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.773 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.88 178.03 15.33 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 10' ' ' LYS . . . . . . . . . . . . . 7.2 pttp -67.86 -48.78 65.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.717 -0.242 . . . . 0.0 111.193 -179.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 11' ' ' THR . . . . . . . . . . . . . 64.0 p -123.61 12.89 9.32 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.1 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 12' ' ' LEU . . . . . 0.553 ' CD1' ' C ' ' X' ' 12' ' ' LEU . 0.6 OUTLIER -132.13 107.41 8.61 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.112 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' X' X ' 13' ' ' LYS . . . . . 0.408 ' N ' HD13 ' X' ' 12' ' ' LEU . 6.5 ttpm? -135.45 140.23 44.71 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.261 178.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -160.54 168.05 35.91 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -137.09 136.19 38.13 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 179.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 16' ' ' THR . . . . . 0.49 HG21 ' H ' ' X' ' 17' ' ' THR . 1.4 m -140.52 161.71 37.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.15 0.5 . . . . 0.0 111.673 -178.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 17' ' ' THR . . . . . 0.49 ' H ' HG21 ' X' ' 16' ' ' THR . 26.2 p -141.58 130.56 23.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.398 179.028 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -146.96 148.51 31.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.206 0.527 . . . . 0.0 111.733 -179.057 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.98 135.56 50.09 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.724 179.252 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 20' ' ' ALA . . . . . . . . . . . . . . . -144.75 176.46 9.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.286 0.565 . . . . 0.0 111.632 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 21' ' ' VAL . . . . . . . . . . . . . 98.2 t -72.4 -38.8 61.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.932 179.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 22' ' ' ASP . . . . . 0.592 ' OD1' ' N ' ' X' ' 24' ' ' ALA . 2.5 p30 -153.44 167.73 28.45 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.064 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 23' ' ' ALA . . . . . 0.61 ' O ' ' N ' ' X' ' 27' ' ' GLU . . . -70.35 -30.13 66.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.478 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 24' ' ' ALA . . . . . 0.592 ' N ' ' OD1' ' X' ' 22' ' ' ASP . . . -56.64 -36.14 69.16 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 179.591 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 25' ' ' THR . . . . . 0.498 ' OG1' ' O ' ' X' ' 22' ' ' ASP . 3.3 p -76.84 -47.31 21.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.964 178.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 26' ' ' ALA . . . . . 0.419 ' O ' ' CD1' ' X' ' 30' ' ' PHE . . . -68.12 -38.1 81.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.442 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 27' ' ' GLU . . . . . 0.61 ' N ' ' O ' ' X' ' 23' ' ' ALA . 12.3 tt0 -54.99 -42.82 72.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 -179.426 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.56 -42.82 70.62 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.253 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 25.2 t -70.02 -39.47 77.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.695 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 30' ' ' PHE . . . . . 0.46 ' CE2' ' HB2' ' X' ' 5' ' ' LEU . 3.3 m-85 -62.51 -45.48 92.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.176 -179.334 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 31' ' ' LYS . . . . . 0.472 ' CG ' ' O ' ' X' ' 27' ' ' GLU . 13.9 mmtt -58.79 -30.75 67.82 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 32' ' ' GLN . . . . . 0.574 ' OE1' ' N ' ' X' ' 33' ' ' TYR . 0.4 OUTLIER -68.65 -32.1 71.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.987 179.329 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' X' X ' 33' ' ' TYR . . . . . 0.574 ' N ' ' OE1' ' X' ' 32' ' ' GLN . 2.1 t80 -59.3 -46.26 89.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.038 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.71 -47.21 70.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.018 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -62.54 -43.22 99.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.724 179.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 36' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' X' ' 32' ' ' GLN . 48.1 t0 -65.72 -29.74 70.31 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.171 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 37' ' ' ASN . . . . . 0.65 ' O ' ' N ' ' X' ' 39' ' ' VAL . 7.5 m-80 -113.5 52.98 0.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 179.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 38' ' ' GLY . . . . . 0.592 ' C ' ' O ' ' X' ' 37' ' ' ASN . . . 3.91 61.4 0.0 OUTLIER Glycine 0 CA--C 1.525 0.677 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.066 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 39' ' ' VAL . . . . . 0.65 ' N ' ' O ' ' X' ' 37' ' ' ASN . 55.6 t -95.52 110.37 24.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.834 -0.347 . . . . 0.0 110.924 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -111.91 106.27 14.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.102 179.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . -158.62 -151.03 5.95 Favored Glycine 0 CA--C 1.519 0.289 0 N-CA-C 110.861 -0.895 . . . . 0.0 110.861 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 42' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -102.62 136.16 42.95 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 43' ' ' TRP . . . . . 0.507 ' HE1' ' HB3' ' X' ' 52' ' ' PHE . 0.6 OUTLIER -111.94 141.62 45.36 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.543 -179.907 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 6.6 t -126.53 151.19 48.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.367 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 45' ' ' TYR . . . . . 0.527 ' CE2' ' CE1' ' X' ' 52' ' ' PHE . 18.9 t80 -128.89 122.85 31.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.44 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 46' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' X' ' 50' ' ' LYS . 5.8 m-20 -120.17 118.6 30.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.454 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -76.32 -30.4 57.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.484 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.03 -32.4 61.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.6 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 49' ' ' THR . . . . . 0.465 ' O ' ' C ' ' X' ' 50' ' ' LYS . 0.2 OUTLIER -107.86 -3.34 19.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.408 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' X' X ' 50' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' X' ' 49' ' ' THR . 1.7 ptpp? 34.82 38.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.561 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 51' ' ' THR . . . . . 0.403 ' N ' ' O ' ' X' ' 49' ' ' THR . 7.0 m -120.91 137.6 54.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.607 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 52' ' ' PHE . . . . . 0.527 ' CE1' ' CE2' ' X' ' 45' ' ' TYR . 3.2 m-85 -119.63 133.18 55.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.541 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 53' ' ' THR . . . . . 0.478 HG23 ' N ' ' X' ' 54' ' ' VAL . 3.4 m -140.33 151.27 44.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.002 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 54' ' ' VAL . . . . . 0.478 ' N ' HG23 ' X' ' 53' ' ' THR . 0.0 OUTLIER -130.1 126.83 62.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.949 0.404 . . . . 0.0 110.811 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' X' X ' 55' ' ' THR . . . . . . . . . . . . . 11.2 m -126.1 133.31 51.69 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.15 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 . . . . . 0 C--N 1.325 -0.499 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.505 -180.0 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' X' X ' 1' ' ' MET . . . . . 0.721 ' N ' ' SD ' ' X' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 2' ' ' GLN . . . . . 0.756 ' NE2' ' H ' ' X' ' 2' ' ' GLN . 0.0 OUTLIER -91.78 136.5 33.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.462 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' X' X ' 3' ' ' TYR . . . . . 0.698 ' CZ ' ' O ' ' X' ' 1' ' ' MET . 0.0 OUTLIER -125.65 153.4 43.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.033 179.694 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' X' X ' 4' ' ' LYS . . . . . 0.473 ' O ' ' O ' ' X' ' 52' ' ' PHE . 9.2 ttpp -118.56 142.35 47.7 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.601 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 5' ' ' LEU . . . . . 0.404 ' HG ' ' CD1' ' X' ' 30' ' ' PHE . 0.2 OUTLIER -111.7 119.18 37.76 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.841 179.666 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' X' X ' 6' ' ' ILE . . . . . 0.458 HG23 HD22 ' X' ' 8' ' ' ASN . 2.5 mm -115.46 129.68 71.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.652 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 7' ' ' LEU . . . . . 0.401 HD13 ' N ' ' X' ' 7' ' ' LEU . 6.6 mp -113.3 130.69 56.19 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.253 179.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 8' ' ' ASN . . . . . 0.518 ' C ' ' O ' ' X' ' 12' ' ' LEU . 0.7 OUTLIER -131.68 -162.44 1.23 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.571 -179.449 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . 135.34 -174.16 21.36 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.587 -1.005 . . . . 0.0 110.587 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 10' ' ' LYS . . . . . 0.665 ' H ' ' CE ' ' X' ' 10' ' ' LYS . 0.0 OUTLIER -76.05 -46.95 26.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.699 0.285 . . . . 0.0 110.824 -179.63 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' X' X ' 11' ' ' THR . . . . . . . . . . . . . 33.8 p -125.06 18.78 8.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.647 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 12' ' ' LEU . . . . . 0.518 ' O ' ' C ' ' X' ' 8' ' ' ASN . 11.3 tp -135.21 116.91 14.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.431 -179.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 13' ' ' LYS . . . . . 0.412 ' HG2' ' N ' ' X' ' 14' ' ' GLY . 0.0 OUTLIER -141.4 139.11 33.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.459 178.893 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' X' X ' 14' ' ' GLY . . . . . 0.412 ' N ' ' HG2' ' X' ' 13' ' ' LYS . . . -163.79 154.41 25.29 Favored Glycine 0 CA--C 1.521 0.409 0 N-CA-C 110.462 -1.055 . . . . 0.0 110.462 179.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -129.95 137.52 50.37 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.09 160.45 39.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.116 0.484 . . . . 0.0 111.53 -179.007 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -142.26 130.99 22.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.474 179.173 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 1.2 m -142.21 152.09 42.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.0 0.428 . . . . 0.0 111.11 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -122.57 136.77 54.97 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.353 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 20' ' ' ALA . . . . . 0.42 ' O ' ' CG ' ' X' ' 1' ' ' MET . . . -146.68 177.15 9.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.734 -179.649 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 21' ' ' VAL . . . . . . . . . . . . . 7.4 p -70.86 -38.88 74.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.638 178.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 22' ' ' ASP . . . . . 0.557 ' OD1' ' N ' ' X' ' 24' ' ' ALA . 2.4 p30 -155.7 169.62 23.92 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.006 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 23' ' ' ALA . . . . . 0.677 ' O ' ' N ' ' X' ' 27' ' ' GLU . . . -71.76 -29.58 64.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.461 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 24' ' ' ALA . . . . . 0.557 ' N ' ' OD1' ' X' ' 22' ' ' ASP . . . -56.62 -38.98 72.84 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 179.59 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 25' ' ' THR . . . . . . . . . . . . . 20.3 p -77.73 -47.63 18.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.192 179.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.42 -38.22 81.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.807 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 27' ' ' GLU . . . . . 0.677 ' N ' ' O ' ' X' ' 23' ' ' ALA . 69.5 tt0 -54.45 -42.73 70.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.819 -179.309 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.6 -37.89 80.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.879 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 25.5 t -69.85 -39.56 77.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.784 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 30' ' ' PHE . . . . . 0.404 ' CD1' ' HG ' ' X' ' 5' ' ' LEU . 32.3 m-85 -65.08 -44.13 89.9 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.05 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 31' ' ' LYS . . . . . 0.483 ' HZ2' ' CG ' ' X' ' 27' ' ' GLU . 8.1 mmtp -57.34 -30.59 64.94 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -67.92 -30.99 70.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.604 178.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -59.67 -46.49 88.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.188 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.01 -45.08 86.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.942 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.54 -41.27 80.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.273 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -64.03 -30.26 71.35 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 37' ' ' ASN . . . . . 0.689 ' O ' ' N ' ' X' ' 39' ' ' VAL . 25.7 m120 -114.29 53.03 0.81 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.274 -0.876 . . . . 0.0 108.692 179.125 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 38' ' ' GLY . . . . . 0.572 ' C ' ' O ' ' X' ' 37' ' ' ASN . . . 2.95 60.28 0.0 OUTLIER Glycine 0 CA--C 1.524 0.625 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.18 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 39' ' ' VAL . . . . . 0.689 ' N ' ' O ' ' X' ' 37' ' ' ASN . 51.9 t -95.51 123.45 47.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.022 0.439 . . . . 0.0 110.788 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -118.27 107.67 14.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.006 179.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . -160.24 -145.6 4.33 Favored Glycine 0 CA--C 1.517 0.192 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 42' ' ' GLU . . . . . 0.542 ' N ' ' O ' ' X' ' 55' ' ' THR . 0.3 OUTLIER -101.09 137.54 39.31 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.811 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' X' X ' 43' ' ' TRP . . . . . 0.442 ' CE2' ' HB ' ' X' ' 54' ' ' VAL . 2.1 m95 -111.34 141.17 45.23 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.43 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 44' ' ' THR . . . . . 0.537 ' HG1' ' N ' ' X' ' 45' ' ' TYR . 0.1 OUTLIER -135.07 165.79 24.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.355 179.864 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' X' X ' 45' ' ' TYR . . . . . 0.56 ' CD1' ' CZ ' ' X' ' 52' ' ' PHE . 4.6 t80 -156.19 133.62 10.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.544 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 46' ' ' ASP . . . . . 0.506 ' N ' ' CD1' ' X' ' 45' ' ' TYR . 3.8 m-20 -121.05 121.28 37.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.577 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 47' ' ' ASP . . . . . 0.508 ' N ' ' OD1' ' X' ' 47' ' ' ASP . 10.6 p30 -77.34 -31.37 54.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.447 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.16 -32.89 44.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.668 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 49' ' ' THR . . . . . 0.47 ' O ' ' C ' ' X' ' 50' ' ' LYS . 0.2 OUTLIER -101.93 -0.96 33.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.795 -179.912 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' X' X ' 50' ' ' LYS . . . . . 0.47 ' C ' ' O ' ' X' ' 49' ' ' THR . 5.4 pttm 34.84 43.29 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.526 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 51' ' ' THR . . . . . . . . . . . . . 98.1 m -120.46 137.13 54.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.497 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 52' ' ' PHE . . . . . 0.56 ' CZ ' ' CD1' ' X' ' 45' ' ' TYR . 17.3 m-85 -115.81 131.21 57.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.228 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 53' ' ' THR . . . . . 0.437 ' CG2' ' N ' ' X' ' 54' ' ' VAL . 3.0 m -144.54 154.87 43.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.829 -179.548 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 54' ' ' VAL . . . . . 0.442 ' HB ' ' CE2' ' X' ' 43' ' ' TRP . 1.6 p -133.09 124.13 49.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.1 179.24 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 55' ' ' THR . . . . . 0.542 ' O ' ' N ' ' X' ' 42' ' ' GLU . 0.3 OUTLIER -125.98 136.71 53.31 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 179.72 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' X' X ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.32 -0.679 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.507 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 1' ' ' MET . . . . . 0.697 ' O ' ' CZ ' ' X' ' 3' ' ' TYR . 2.9 ppp? . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 2' ' ' GLN . . . . . 0.593 ' CD ' ' H ' ' X' ' 2' ' ' GLN . 0.0 OUTLIER -92.56 132.37 36.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.101 -179.572 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' X' X ' 3' ' ' TYR . . . . . 0.697 ' CZ ' ' O ' ' X' ' 1' ' ' MET . 0.0 OUTLIER -125.82 151.03 47.33 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.525 179.608 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -119.72 143.56 47.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.57 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 5' ' ' LEU . . . . . 0.455 HD21 ' N ' ' X' ' 6' ' ' ILE . 0.1 OUTLIER -119.3 123.31 43.91 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.157 179.803 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' X' X ' 6' ' ' ILE . . . . . 0.455 ' N ' HD21 ' X' ' 5' ' ' LEU . 1.7 mm -116.15 133.93 61.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.185 179.366 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 7' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' X' ' 14' ' ' GLY . 4.4 mm? -112.65 128.33 56.36 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.033 0.444 . . . . 0.0 110.527 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -133.67 -162.55 1.26 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.315 -179.489 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . 135.28 -158.23 23.53 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 10' ' ' LYS . . . . . 0.454 ' NZ ' ' O ' ' X' ' 56' ' ' GLU . 19.8 mmtt -70.54 -65.86 0.68 Allowed 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 121.583 0.706 . . . . 0.0 110.18 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 11' ' ' THR . . . . . 0.628 ' O ' ' CG2' ' X' ' 11' ' ' THR . 5.0 m -128.17 22.99 6.08 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 114.467 -1.242 . . . . 0.0 110.198 -178.472 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 12' ' ' LEU . . . . . 0.538 ' CD1' ' C ' ' X' ' 12' ' ' LEU . 1.0 OUTLIER -122.82 106.72 11.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.437 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' X' X ' 13' ' ' LYS . . . . . 0.459 ' HG2' ' N ' ' X' ' 14' ' ' GLY . 0.2 OUTLIER -131.57 139.56 49.24 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.976 0.417 . . . . 0.0 110.51 179.32 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' X' X ' 14' ' ' GLY . . . . . 0.497 ' O ' ' N ' ' X' ' 7' ' ' LEU . . . -158.93 149.92 20.23 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 110.614 -0.995 . . . . 0.0 110.614 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -130.1 136.4 49.28 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 16' ' ' THR . . . . . 0.576 ' OG1' ' OH ' ' X' ' 33' ' ' TYR . 1.8 m -140.32 159.12 42.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.041 0.448 . . . . 0.0 111.229 -179.067 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 17' ' ' THR . . . . . 0.533 ' N ' ' CG2' ' X' ' 16' ' ' THR . 9.8 t -142.31 130.7 22.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.77 179.197 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 1.9 m -145.4 152.56 40.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.938 0.399 . . . . 0.0 111.012 -179.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -124.36 135.2 53.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.325 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 20' ' ' ALA . . . . . . . . . . . . . . . -140.35 178.09 7.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.024 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 21' ' ' VAL . . . . . . . . . . . . . 45.7 t -70.07 -38.8 76.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.406 178.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 22' ' ' ASP . . . . . 0.564 ' C ' ' OH ' ' X' ' 3' ' ' TYR . 53.1 p30 -155.6 172.33 18.46 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.998 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 23' ' ' ALA . . . . . 0.66 ' O ' ' N ' ' X' ' 27' ' ' GLU . . . -73.17 -30.54 63.64 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.742 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.29 -39.6 72.95 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 25' ' ' THR . . . . . 0.456 ' OG1' ' OD1' ' X' ' 22' ' ' ASP . 36.3 p -78.6 -47.02 17.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.276 178.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.81 -37.6 82.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.726 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 27' ' ' GLU . . . . . 0.66 ' N ' ' O ' ' X' ' 23' ' ' ALA . 68.5 tt0 -54.01 -42.28 68.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.854 -179.319 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 28' ' ' LYS . . . . . 0.411 ' HD2' ' N ' ' X' ' 28' ' ' LYS . 0.0 OUTLIER -65.18 -38.2 89.75 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.177 179.823 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 61.6 t -69.88 -39.33 77.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.812 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 30' ' ' PHE . . . . . 0.466 ' CE2' ' HB2' ' X' ' 3' ' ' TYR . 38.8 m-85 -66.19 -42.93 88.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.114 -179.506 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 31' ' ' LYS . . . . . 0.454 ' CG ' ' O ' ' X' ' 27' ' ' GLU . 0.1 OUTLIER -56.81 -32.09 65.36 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -67.49 -30.22 69.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.884 178.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 33' ' ' TYR . . . . . 0.576 ' OH ' ' OG1' ' X' ' 16' ' ' THR . 3.6 t80 -58.28 -46.59 85.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.313 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.5 -45.45 90.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.119 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -68.01 -40.99 82.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.362 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -66.25 -31.03 71.6 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.145 0.497 . . . . 0.0 109.973 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 37' ' ' ASN . . . . . 0.704 ' O ' ' N ' ' X' ' 39' ' ' VAL . 25.6 m120 -111.32 53.35 0.71 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.535 -0.757 . . . . 0.0 108.972 179.426 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 38' ' ' GLY . . . . . 0.593 ' C ' ' O ' ' X' ' 37' ' ' ASN . . . 3.55 58.8 0.0 OUTLIER Glycine 0 CA--C 1.524 0.626 0 O-C-N 123.694 0.622 . . . . 0.0 112.237 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 39' ' ' VAL . . . . . 0.704 ' N ' ' O ' ' X' ' 37' ' ' ASN . 39.9 t -96.71 131.96 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.863 0.363 . . . . 0.0 110.829 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -125.72 106.65 9.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.077 179.233 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . -160.41 -146.97 4.77 Favored Glycine 0 CA--C 1.516 0.138 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 42' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -101.92 140.57 36.02 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 178.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 43' ' ' TRP . . . . . . . . . . . . . 9.0 m95 -112.33 142.33 44.97 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.089 0.471 . . . . 0.0 110.686 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.83 170.01 16.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.203 179.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 45' ' ' TYR . . . . . 0.702 ' CE2' ' CZ ' ' X' ' 52' ' ' PHE . 21.6 t80 -151.75 131.34 13.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.639 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -122.73 114.24 20.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.521 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 47' ' ' ASP . . . . . 0.608 ' O ' ' CE ' ' X' ' 50' ' ' LYS . 0.7 OUTLIER -77.18 -29.57 54.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.737 -179.793 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.56 -33.27 47.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.109 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 49' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.76 -3.29 17.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.936 -179.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 50' ' ' LYS . . . . . 0.608 ' CE ' ' O ' ' X' ' 47' ' ' ASP . 27.5 mmtp 43.5 33.5 0.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.22 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 51' ' ' THR . . . . . 0.464 ' C ' ' CD1' ' X' ' 52' ' ' PHE . 82.7 m -113.97 117.7 32.08 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.848 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 52' ' ' PHE . . . . . 0.702 ' CZ ' ' CE2' ' X' ' 45' ' ' TYR . 0.6 OUTLIER -117.64 132.22 56.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.168 179.606 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' X' X ' 53' ' ' THR . . . . . . . . . . . . . 41.2 p -144.71 158.34 43.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.554 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 54' ' ' VAL . . . . . 0.418 ' CG1' HD13 ' X' ' 7' ' ' LEU . 2.4 p -127.39 126.44 67.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 179.226 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 55' ' ' THR . . . . . . . . . . . . . 4.5 m -125.23 131.19 53.18 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.302 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 56' ' ' GLU . . . . . 0.454 ' O ' ' NZ ' ' X' ' 10' ' ' LYS . 2.2 mt-10 . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.642 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 1' ' ' MET . . . . . 0.687 ' O ' ' CZ ' ' X' ' 3' ' ' TYR . 5.3 ptm . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 2' ' ' GLN . . . . . 0.426 ' H ' ' H2 ' ' X' ' 1' ' ' MET . 0.9 OUTLIER -92.32 135.53 33.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.682 -179.834 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' X' X ' 3' ' ' TYR . . . . . 0.687 ' CZ ' ' O ' ' X' ' 1' ' ' MET . 0.0 OUTLIER -123.48 149.12 45.52 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.33 179.753 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 8.1 tttp -118.86 143.27 47.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.339 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 5' ' ' LEU . . . . . 0.494 ' HG ' ' CD2' ' X' ' 30' ' ' PHE . 0.2 OUTLIER -117.22 120.78 39.3 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.249 -179.907 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' X' X ' 6' ' ' ILE . . . . . 0.404 ' N ' HD22 ' X' ' 5' ' ' LEU . 1.8 mp -115.69 132.77 64.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.16 179.139 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -112.94 131.58 55.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.606 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -131.42 -168.48 2.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.17 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . 128.72 -161.74 22.34 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -77.93 0.06 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.948 0.404 . . . . 0.0 110.12 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 11' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' X' ' 11' ' ' THR . 0.7 OUTLIER -113.02 21.31 15.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.386 179.692 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' X' X ' 12' ' ' LEU . . . . . 0.561 ' CD1' ' C ' ' X' ' 12' ' ' LEU . 0.5 OUTLIER -116.52 100.32 7.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.032 -179.91 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 8.0 ttmt -132.96 139.24 47.2 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.039 178.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -159.53 165.51 34.5 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -137.27 137.64 39.24 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.09 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.92 160.28 39.09 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.436 -0.506 . . . . 0.0 111.811 -178.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 76.2 p -142.81 129.54 20.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.084 179.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.79 150.56 35.55 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.236 -0.585 . . . . 0.0 111.781 -179.002 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -128.1 127.16 42.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.041 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 20' ' ' ALA . . . . . . . . . . . . . . . -141.99 178.64 7.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.11 0.481 . . . . 0.0 111.173 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 21' ' ' VAL . . . . . . . . . . . . . 58.5 t -69.53 -39.26 78.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.359 178.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 22' ' ' ASP . . . . . 0.548 ' C ' ' OH ' ' X' ' 3' ' ' TYR . 13.4 p30 -155.62 171.73 19.46 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.959 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 23' ' ' ALA . . . . . 0.596 ' O ' ' N ' ' X' ' 27' ' ' GLU . . . -72.61 -30.68 64.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.601 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.65 -36.69 69.81 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 25' ' ' THR . . . . . 0.53 ' O ' ' CG1' ' X' ' 29' ' ' VAL . 37.8 p -76.44 -44.86 33.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.459 178.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.3 -38.96 82.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.022 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 27' ' ' GLU . . . . . 0.596 ' N ' ' O ' ' X' ' 23' ' ' ALA . 35.6 tt0 -54.6 -48.54 72.04 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -178.482 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -60.42 -47.5 85.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.941 0.4 . . . . 0.0 110.727 -179.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 29' ' ' VAL . . . . . 0.53 ' CG1' ' O ' ' X' ' 25' ' ' THR . 0.5 OUTLIER -70.26 -35.68 64.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.596 179.54 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' X' X ' 30' ' ' PHE . . . . . 0.494 ' CD2' ' HG ' ' X' ' 5' ' ' LEU . 0.9 OUTLIER -58.62 -45.09 89.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.61 -179.78 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -57.5 -29.15 64.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.761 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 32' ' ' GLN . . . . . 0.515 ' O ' ' N ' ' X' ' 36' ' ' ASP . 4.0 tt0 -66.93 -31.08 71.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.087 179.081 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -58.83 -46.41 87.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.055 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.19 -45.99 62.24 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.09 -43.87 98.22 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.498 179.011 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 36' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' X' ' 32' ' ' GLN . 11.1 t70 -66.35 -29.44 69.63 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 37' ' ' ASN . . . . . 0.697 ' O ' ' N ' ' X' ' 39' ' ' VAL . 0.1 OUTLIER -112.21 52.21 0.78 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 179.005 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' X' X ' 38' ' ' GLY . . . . . 0.567 ' C ' ' O ' ' X' ' 37' ' ' ASN . . . 2.92 58.45 0.0 OUTLIER Glycine 0 CA--C 1.527 0.826 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.555 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 39' ' ' VAL . . . . . 0.697 ' N ' ' O ' ' X' ' 37' ' ' ASN . 6.5 t -95.77 124.46 48.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -120.39 107.21 12.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.018 179.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . -158.35 -150.47 5.78 Favored Glycine 0 CA--C 1.517 0.208 0 N-CA-C 111.442 -0.663 . . . . 0.0 111.442 -179.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 42' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -102.59 141.24 35.73 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 43' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -115.52 148.65 39.26 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.843 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 2.0 t -139.29 160.3 40.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.256 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 45' ' ' TYR . . . . . 0.739 ' CD1' ' CZ ' ' X' ' 52' ' ' PHE . 6.2 t80 -147.06 132.57 18.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.999 0.428 . . . . 0.0 110.857 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 46' ' ' ASP . . . . . 0.468 ' N ' ' CD1' ' X' ' 45' ' ' TYR . 37.3 m-20 -122.87 119.81 31.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.287 179.692 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.9 -27.75 60.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.613 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.12 -31.02 62.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.421 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 49' ' ' THR . . . . . 0.455 ' OG1' ' CB ' ' X' ' 46' ' ' ASP . 13.2 p -109.31 -2.8 17.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.778 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 50' ' ' LYS . . . . . 0.517 ' CD ' ' H3 ' ' X' ' 1' ' ' MET . 0.6 OUTLIER 37.65 48.34 0.92 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.016 -179.838 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' X' X ' 51' ' ' THR . . . . . . . . . . . . . 4.8 m -129.06 146.49 51.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.661 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 52' ' ' PHE . . . . . 0.739 ' CZ ' ' CD1' ' X' ' 45' ' ' TYR . 21.0 m-85 -122.56 131.42 53.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.673 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 53' ' ' THR . . . . . . . . . . . . . 4.5 m -141.43 151.49 43.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.291 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 54' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -129.9 129.2 65.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.897 0.38 . . . . 0.0 110.278 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 55' ' ' THR . . . . . . . . . . . . . 6.1 m -125.08 131.66 53.28 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.199 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.955 -1.021 . . . . 0.0 110.608 -179.845 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' X' X ' 1' ' ' MET . . . . . 0.696 ' O ' ' CZ ' ' X' ' 3' ' ' TYR . 2.4 ptp . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 2' ' ' GLN . . . . . 0.748 ' NE2' ' H ' ' X' ' 2' ' ' GLN . 0.0 OUTLIER -92.04 127.59 37.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.995 0.426 . . . . 0.0 110.774 -179.754 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' X' X ' 3' ' ' TYR . . . . . 0.707 ' CD1' ' N ' ' X' ' 3' ' ' TYR . 0.0 OUTLIER -125.55 151.84 45.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.264 179.844 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 10.5 ptpp? -118.35 141.53 48.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.136 0.493 . . . . 0.0 110.498 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 5' ' ' LEU . . . . . 0.482 ' CD1' ' C ' ' X' ' 5' ' ' LEU . 2.2 tm? -118.11 108.97 15.84 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.074 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 6' ' ' ILE . . . . . 0.445 ' N ' HD23 ' X' ' 5' ' ' LEU . 0.0 OUTLIER -116.17 133.62 62.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.085 179.901 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' X' X ' 7' ' ' LEU . . . . . 0.402 HD13 ' CD1' ' X' ' 33' ' ' TYR . 17.3 mt -110.14 130.73 55.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.842 0.353 . . . . 0.0 110.081 179.518 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -125.12 -163.97 1.24 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.376 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . 134.3 -160.24 24.09 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -61.77 -81.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.977 0.417 . . . . 0.0 110.666 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 11' ' ' THR . . . . . . . . . . . . . 3.6 t -110.55 18.5 19.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.078 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 tp -112.38 112.38 23.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.776 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -134.87 139.7 45.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.597 179.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -162.0 145.8 11.24 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 15' ' ' GLU . . . . . 0.638 ' OE1' ' N ' ' X' ' 15' ' ' GLU . 0.0 OUTLIER -132.78 134.98 45.4 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 178.896 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -141.3 159.64 41.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.22 0.533 . . . . 0.0 111.675 -178.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.09 132.36 20.57 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.319 179.016 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.41 152.39 40.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.819 -179.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -118.84 126.86 52.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.133 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 20' ' ' ALA . . . . . . . . . . . . . . . -137.07 177.48 7.83 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.193 0.52 . . . . 0.0 111.224 -179.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 21' ' ' VAL . . . . . . . . . . . . . 6.5 t -72.41 -37.24 57.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.571 179.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 22' ' ' ASP . . . . . 0.548 ' OD1' ' N ' ' X' ' 24' ' ' ALA . 2.3 p30 -154.71 171.28 19.8 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.077 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 23' ' ' ALA . . . . . 0.405 ' HA ' ' CE2' ' X' ' 3' ' ' TYR . . . -72.44 -30.52 64.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.653 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 24' ' ' ALA . . . . . 0.548 ' N ' ' OD1' ' X' ' 22' ' ' ASP . . . -56.74 -36.49 69.82 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 25' ' ' THR . . . . . 0.454 ' HG1' ' H ' ' X' ' 26' ' ' ALA . 41.2 p -76.59 -46.31 26.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.316 179.196 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 26' ' ' ALA . . . . . 0.454 ' H ' ' HG1' ' X' ' 25' ' ' THR . . . -67.44 -37.79 83.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.879 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 27' ' ' GLU . . . . . 0.511 ' O ' ' CG ' ' X' ' 31' ' ' LYS . 16.0 tt0 -54.92 -42.71 72.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.281 -179.078 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -66.31 -45.49 80.17 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.525 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 25.2 t -69.73 -39.87 78.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.319 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 30' ' ' PHE . . . . . 0.426 ' CD2' ' HB2' ' X' ' 5' ' ' LEU . 3.9 m-30 -62.05 -44.45 96.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.769 -179.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 31' ' ' LYS . . . . . 0.511 ' CG ' ' O ' ' X' ' 27' ' ' GLU . 18.6 mmtt -58.18 -29.65 65.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.721 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 32' ' ' GLN . . . . . 0.587 ' O ' ' N ' ' X' ' 36' ' ' ASP . 41.3 tp60 -62.52 -32.14 73.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.85 179.14 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 33' ' ' TYR . . . . . 0.402 ' CD1' HD13 ' X' ' 7' ' ' LEU . 1.3 t80 -60.04 -47.24 86.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.04 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.19 -47.13 71.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.713 179.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -65.78 -42.88 90.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.806 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 36' ' ' ASP . . . . . 0.587 ' N ' ' O ' ' X' ' 32' ' ' GLN . 12.0 t70 -63.02 -27.96 69.77 Favored 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 179.225 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 37' ' ' ASN . . . . . 0.686 ' O ' ' N ' ' X' ' 39' ' ' VAL . 24.4 m120 -119.47 52.82 1.07 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.127 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 38' ' ' GLY . . . . . 0.597 ' C ' ' O ' ' X' ' 37' ' ' ASN . . . 1.52 62.69 0.0 OUTLIER Glycine 0 CA--C 1.523 0.589 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.97 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 39' ' ' VAL . . . . . 0.686 ' N ' ' O ' ' X' ' 37' ' ' ASN . 55.1 t -94.67 127.88 46.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.831 0.348 . . . . 0.0 110.687 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -121.79 107.6 12.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.125 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . -157.07 -152.0 6.18 Favored Glycine 0 CA--C 1.519 0.285 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 42' ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -102.38 136.51 42.09 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 179.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 43' ' ' TRP . . . . . 0.451 ' CE2' HG21 ' X' ' 54' ' ' VAL . 0.7 OUTLIER -112.62 142.04 45.68 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.626 -179.882 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.68 151.26 51.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.353 179.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 45' ' ' TYR . . . . . 0.658 ' CD1' ' CE1' ' X' ' 52' ' ' PHE . 5.6 t80 -142.84 123.95 14.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.287 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.58 133.14 56.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.272 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -77.49 -32.89 54.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.981 0.419 . . . . 0.0 110.618 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.71 -32.31 60.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.28 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 49' ' ' THR . . . . . 0.545 ' O ' ' C ' ' X' ' 50' ' ' LYS . 0.2 OUTLIER -104.37 -2.08 25.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.427 179.895 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' X' X ' 50' ' ' LYS . . . . . 0.562 ' O ' ' CG ' ' X' ' 50' ' ' LYS . 0.2 OUTLIER 26.12 49.8 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.621 -179.734 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' X' X ' 51' ' ' THR . . . . . 0.422 ' N ' ' O ' ' X' ' 49' ' ' THR . 2.6 m -125.45 143.56 50.93 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.58 -179.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 52' ' ' PHE . . . . . 0.658 ' CE1' ' CD1' ' X' ' 45' ' ' TYR . 19.0 m-85 -117.39 132.66 56.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.403 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 53' ' ' THR . . . . . 0.444 ' CG2' ' N ' ' X' ' 54' ' ' VAL . 1.3 m -142.28 154.28 44.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.479 -179.596 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 54' ' ' VAL . . . . . 0.451 HG21 ' CE2' ' X' ' 43' ' ' TRP . 0.1 OUTLIER -129.45 124.58 60.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.133 179.505 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' X' X ' 55' ' ' THR . . . . . . . . . . . . . 2.3 m -125.78 128.47 47.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.247 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.524 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 1' ' ' MET . . . . . 0.716 ' N ' ' HZ3' ' X' ' 50' ' ' LYS . 13.0 ptm . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 2' ' ' GLN . . . . . 0.776 ' NE2' ' H ' ' X' ' 2' ' ' GLN . 0.0 OUTLIER -91.73 124.41 35.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.124 0.488 . . . . 0.0 110.867 -179.614 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' X' X ' 3' ' ' TYR . . . . . 0.693 ' CZ ' ' O ' ' X' ' 1' ' ' MET . 0.0 OUTLIER -117.8 147.03 43.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.923 179.576 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -118.65 143.11 47.04 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.351 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 13.4 tp -113.85 130.23 56.5 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.417 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 6' ' ' ILE . . . . . . . . . . . . . 1.7 mp -116.7 134.46 60.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.42 179.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 7' ' ' LEU . . . . . 0.662 ' CD2' ' N ' ' X' ' 7' ' ' LEU . 1.4 mm? -111.08 128.9 56.02 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.335 179.366 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 8' ' ' ASN . . . . . 0.502 ' C ' ' O ' ' X' ' 12' ' ' LEU . 16.3 m-20 -133.77 -163.27 1.34 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.354 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.94 -168.96 23.09 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.841 -0.903 . . . . 0.0 110.841 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.23 -57.08 4.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.769 0.319 . . . . 0.0 110.803 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -122.51 22.64 9.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.593 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 12' ' ' LEU . . . . . 0.502 ' O ' ' C ' ' X' ' 8' ' ' ASN . 6.6 tp -133.18 112.21 11.54 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.749 -0.381 . . . . 0.0 111.52 -179.306 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 17.2 ttpt -140.51 138.85 34.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.411 178.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -163.27 169.74 38.47 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.306 -1.118 . . . . 0.0 110.306 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -139.64 136.96 34.85 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 179.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 16' ' ' THR . . . . . 0.516 ' CG2' ' N ' ' X' ' 17' ' ' THR . 1.6 m -138.94 158.14 44.75 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.803 -179.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 17' ' ' THR . . . . . 0.516 ' N ' ' CG2' ' X' ' 16' ' ' THR . 3.0 t -139.96 135.74 33.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.648 179.238 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -143.93 150.94 39.14 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.222 0.534 . . . . 0.0 111.12 -179.448 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -125.17 129.74 50.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.846 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.71 177.88 7.56 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.312 0.577 . . . . 0.0 111.346 -179.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 21' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -70.62 -38.6 73.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.511 178.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 22' ' ' ASP . . . . . 0.562 ' C ' ' OH ' ' X' ' 3' ' ' TYR . 4.4 p30 -155.87 172.74 17.84 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.072 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.82 -30.91 64.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.505 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.32 -36.15 68.38 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 25' ' ' THR . . . . . 0.508 ' N ' ' OD1' ' X' ' 22' ' ' ASP . 12.0 p -77.82 -42.89 32.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.091 178.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 26' ' ' ALA . . . . . 0.664 ' O ' ' CD2' ' X' ' 30' ' ' PHE . . . -64.31 -39.18 93.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.062 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 27' ' ' GLU . . . . . 0.653 ' O ' ' CG ' ' X' ' 31' ' ' LYS . 5.3 pt-20 -55.06 -45.2 75.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.763 0.316 . . . . 0.0 110.575 -179.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 28' ' ' LYS . . . . . 0.567 ' N ' ' CG ' ' X' ' 27' ' ' GLU . 0.2 OUTLIER -73.39 -38.85 65.49 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.954 179.826 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 93.9 t -71.17 -54.86 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -178.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 30' ' ' PHE . . . . . 0.664 ' CD2' ' O ' ' X' ' 26' ' ' ALA . 3.9 p90 -74.8 -29.98 61.27 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 119.843 -0.743 . . . . 0.0 112.485 -178.05 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 31' ' ' LYS . . . . . 0.653 ' CG ' ' O ' ' X' ' 27' ' ' GLU . 18.4 mmtp -55.61 -29.33 58.95 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 119.723 -0.791 . . . . 0.0 109.129 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -64.73 -30.82 71.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.771 179.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 33' ' ' TYR . . . . . 0.573 ' C ' ' CD1' ' X' ' 33' ' ' TYR . 4.3 t80 -57.89 -44.66 86.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.339 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.33 -45.92 68.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 109.927 179.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 35' ' ' ASN . . . . . 0.428 ' N ' ' OD1' ' X' ' 35' ' ' ASN . 1.3 m-20 -62.41 -42.44 99.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.95 179.459 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -65.8 -30.15 70.74 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 37' ' ' ASN . . . . . 0.677 ' O ' ' N ' ' X' ' 39' ' ' VAL . 1.2 t-20 -112.41 52.92 0.75 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 179.093 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 38' ' ' GLY . . . . . 0.587 ' C ' ' O ' ' X' ' 37' ' ' ASN . . . 3.74 60.77 0.0 OUTLIER Glycine 0 CA--C 1.524 0.615 0 CA-C-N 115.65 -0.704 . . . . 0.0 112.049 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 39' ' ' VAL . . . . . 0.677 ' N ' ' O ' ' X' ' 37' ' ' ASN . 52.3 t -94.89 109.64 22.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.708 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -109.87 108.45 18.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.045 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . -156.35 -151.11 5.84 Favored Glycine 0 CA--C 1.519 0.308 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 42' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -101.68 133.04 47.01 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 43' ' ' TRP . . . . . 0.505 ' HE1' ' HB3' ' X' ' 52' ' ' PHE . 0.6 OUTLIER -114.09 144.05 43.77 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.847 -179.751 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 3.2 p -133.99 153.76 51.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.179 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 45' ' ' TYR . . . . . 0.775 ' CD1' ' CE2' ' X' ' 52' ' ' PHE . 2.9 t80 -144.16 125.02 14.25 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.556 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 46' ' ' ASP . . . . . 0.418 ' N ' ' CD1' ' X' ' 45' ' ' TYR . 6.2 t0 -117.61 132.81 56.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.218 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.71 -32.59 53.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.913 0.387 . . . . 0.0 110.567 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.53 -32.58 58.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.418 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 49' ' ' THR . . . . . 0.538 ' O ' ' C ' ' X' ' 50' ' ' LYS . 0.3 OUTLIER -102.89 -1.9 28.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.331 179.73 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' X' X ' 50' ' ' LYS . . . . . 0.716 ' HZ3' ' N ' ' X' ' 1' ' ' MET . 5.1 ptmt 26.65 46.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.65 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 51' ' ' THR . . . . . 0.466 ' N ' ' O ' ' X' ' 49' ' ' THR . 2.5 m -125.76 137.72 53.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.46 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 52' ' ' PHE . . . . . 0.775 ' CE2' ' CD1' ' X' ' 45' ' ' TYR . 34.2 m-85 -119.44 132.43 55.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.712 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 53' ' ' THR . . . . . 0.44 ' CG2' ' N ' ' X' ' 54' ' ' VAL . 1.4 m -142.4 154.51 44.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.452 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 54' ' ' VAL . . . . . 0.44 ' N ' ' CG2' ' X' ' 53' ' ' THR . 5.2 p -130.3 127.15 62.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.896 0.379 . . . . 0.0 110.665 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 55' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -125.73 134.67 51.7 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.675 179.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.669 0 CA-C-O 118.003 -0.999 . . . . 0.0 110.607 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 1' ' ' MET . . . . . 0.691 ' O ' ' CZ ' ' X' ' 3' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 2' ' ' GLN . . . . . 0.675 ' NE2' ' H ' ' X' ' 2' ' ' GLN . 0.0 OUTLIER -91.82 136.98 32.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.459 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' X' X ' 3' ' ' TYR . . . . . 0.764 ' CD1' ' N ' ' X' ' 3' ' ' TYR . 0.0 OUTLIER -124.88 151.41 45.36 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.169 179.76 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . 0.413 ' H ' HG22 ' X' ' 51' ' ' THR . 32.5 tttm -118.21 142.24 47.67 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.357 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 5' ' ' LEU . . . . . 0.468 ' HG ' ' CD2' ' X' ' 30' ' ' PHE . 0.5 OUTLIER -113.73 121.69 44.85 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.129 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' X' X ' 6' ' ' ILE . . . . . . . . . . . . . 2.0 mm -115.51 132.2 65.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.547 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 7' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' X' ' 14' ' ' GLY . 4.4 mm? -113.68 127.73 56.15 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.847 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 8' ' ' ASN . . . . . 0.43 ' O ' ' O ' ' X' ' 12' ' ' LEU . 84.2 m-20 -128.21 -164.66 1.4 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.135 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.8 -165.82 24.12 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.846 -0.901 . . . . 0.0 110.846 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 10' ' ' LYS . . . . . 0.464 ' N ' ' HD3' ' X' ' 10' ' ' LYS . 10.7 mmtp -74.04 -61.07 1.98 Allowed 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.323 0.582 . . . . 0.0 110.36 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.14 18.44 10.78 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.711 -179.238 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 12' ' ' LEU . . . . . 0.553 ' CD1' ' C ' ' X' ' 12' ' ' LEU . 0.5 OUTLIER -125.37 105.78 9.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.846 -179.803 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -131.88 139.26 48.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.125 178.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 14' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' X' ' 7' ' ' LEU . . . -163.1 152.65 22.85 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.674 -0.97 . . . . 0.0 110.674 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -129.32 138.42 51.57 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.98 162.12 33.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.295 0.569 . . . . 0.0 111.831 -178.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -143.12 129.54 20.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.377 178.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 1.9 m -144.29 151.93 40.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.971 0.415 . . . . 0.0 110.887 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -124.25 135.55 53.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.481 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 20' ' ' ALA . . . . . 0.538 ' O ' ' SD ' ' X' ' 1' ' ' MET . . . -148.91 176.9 10.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 21' ' ' VAL . . . . . . . . . . . . . 23.0 t -71.43 -38.54 69.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.55 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 22' ' ' ASP . . . . . 0.555 ' OD1' ' N ' ' X' ' 24' ' ' ALA . 3.3 p30 -154.95 169.98 22.79 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.952 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 23' ' ' ALA . . . . . 0.564 ' O ' ' N ' ' X' ' 27' ' ' GLU . . . -72.15 -29.1 63.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.638 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 24' ' ' ALA . . . . . 0.555 ' N ' ' OD1' ' X' ' 22' ' ' ASP . . . -55.66 -37.9 68.88 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 25' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' X' ' 22' ' ' ASP . 15.3 p -76.64 -44.86 32.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.806 178.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.21 -36.49 83.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.43 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 27' ' ' GLU . . . . . 0.564 ' N ' ' O ' ' X' ' 23' ' ' ALA . 19.7 tt0 -53.92 -45.71 71.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.286 -178.626 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 9.2 mmtp -64.62 -47.09 79.84 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.84 -179.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -70.26 -36.23 66.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.774 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 30' ' ' PHE . . . . . 0.468 ' CD2' ' HG ' ' X' ' 5' ' ' LEU . 1.9 m-85 -58.95 -45.03 91.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.534 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 31' ' ' LYS . . . . . 0.536 ' NZ ' ' CG ' ' X' ' 27' ' ' GLU . 3.5 mmtp -58.31 -30.04 66.36 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.816 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 32' ' ' GLN . . . . . 0.529 ' O ' ' N ' ' X' ' 36' ' ' ASP . 4.9 tt0 -68.1 -31.23 70.69 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.334 179.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -58.74 -46.09 88.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.038 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.45 -44.54 78.4 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 39.4 t-20 -65.92 -41.64 91.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.996 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 36' ' ' ASP . . . . . 0.529 ' N ' ' O ' ' X' ' 32' ' ' GLN . 15.7 m-20 -65.13 -30.59 71.53 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 37' ' ' ASN . . . . . 0.692 ' O ' ' N ' ' X' ' 39' ' ' VAL . 2.3 m-20 -113.56 53.1 0.78 Allowed 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.374 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 38' ' ' GLY . . . . . 0.58 ' C ' ' O ' ' X' ' 37' ' ' ASN . . . 3.07 59.32 0.0 OUTLIER Glycine 0 CA--C 1.524 0.63 0 CA-C-N 115.769 -0.651 . . . . 0.0 112.353 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 39' ' ' VAL . . . . . 0.692 ' N ' ' O ' ' X' ' 37' ' ' ASN . 25.0 t -97.43 132.47 42.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.922 0.392 . . . . 0.0 110.827 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 40' ' ' ASP . . . . . 0.49 ' CG ' ' O ' ' X' ' 40' ' ' ASP . 9.8 p-10 -126.09 107.0 9.99 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.21 179.228 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . -157.38 -152.83 6.47 Favored Glycine 0 CA--C 1.517 0.209 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 42' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -102.76 142.46 33.87 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 43' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -112.88 142.63 45.32 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.755 -179.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -128.38 149.58 50.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.374 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 45' ' ' TYR . . . . . 0.738 ' CD1' ' CZ ' ' X' ' 52' ' ' PHE . 21.2 t80 -137.54 122.14 18.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.463 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -117.7 128.26 54.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.35 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -77.11 -31.98 56.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.98 0.419 . . . . 0.0 110.538 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.92 -32.29 59.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.418 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 49' ' ' THR . . . . . 0.539 ' O ' ' C ' ' X' ' 50' ' ' LYS . 0.3 OUTLIER -103.67 -2.09 27.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.33 179.848 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' X' X ' 50' ' ' LYS . . . . . 0.554 ' O ' ' CG ' ' X' ' 50' ' ' LYS . 0.0 OUTLIER 26.85 46.27 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.605 -179.655 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' X' X ' 51' ' ' THR . . . . . 0.472 ' N ' ' O ' ' X' ' 49' ' ' THR . 99.4 m -124.93 143.81 50.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.522 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 52' ' ' PHE . . . . . 0.738 ' CZ ' ' CD1' ' X' ' 45' ' ' TYR . 30.2 m-85 -115.85 132.68 56.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.354 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 53' ' ' THR . . . . . 0.401 ' CG2' ' N ' ' X' ' 54' ' ' VAL . 16.7 m -141.44 154.51 45.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.348 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 54' ' ' VAL . . . . . 0.401 ' N ' ' CG2' ' X' ' 53' ' ' THR . 0.1 OUTLIER -126.28 124.87 66.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 179.48 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' X' X ' 55' ' ' THR . . . . . . . . . . . . . 2.2 m -125.58 129.65 50.09 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.202 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.573 -179.903 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' X' X ' 1' ' ' MET . . . . . 0.68 ' O ' ' CZ ' ' X' ' 3' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 2' ' ' GLN . . . . . 0.425 ' C ' ' NE2' ' X' ' 2' ' ' GLN . 0.2 OUTLIER -92.47 118.29 30.81 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.127 -0.629 . . . . 0.0 111.435 -179.435 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' X' X ' 3' ' ' TYR . . . . . 0.68 ' CZ ' ' O ' ' X' ' 1' ' ' MET . 0.0 OUTLIER -128.7 142.55 50.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.65 179.608 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . 0.544 ' O ' ' O ' ' X' ' 52' ' ' PHE . 14.4 ttpt -118.99 139.74 51.17 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.973 179.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 5' ' ' LEU . . . . . 0.531 ' CD1' ' C ' ' X' ' 5' ' ' LEU . 3.1 tm? -117.54 112.78 21.04 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.188 0.518 . . . . 0.0 110.278 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 6' ' ' ILE . . . . . 0.468 HD11 HG22 ' X' ' 6' ' ' ILE . 10.1 mt -116.58 135.5 56.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.981 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 7' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' X' ' 14' ' ' GLY . 0.8 OUTLIER -112.23 130.08 56.05 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.35 179.188 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' X' X ' 8' ' ' ASN . . . . . 0.647 ' ND2' ' H ' ' X' ' 9' ' ' GLY . 4.9 t30 -129.16 -164.08 1.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.48 -179.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 9' ' ' GLY . . . . . 0.647 ' H ' ' ND2' ' X' ' 8' ' ' ASN . . . 133.61 -166.86 23.76 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 10' ' ' LYS . . . . . 0.449 ' N ' ' HD3' ' X' ' 10' ' ' LYS . 4.3 mmtt -74.01 -62.46 1.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.788 0.328 . . . . 0.0 110.367 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 11' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' X' ' 11' ' ' THR . 0.6 OUTLIER -117.75 21.37 12.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.318 179.722 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' X' X ' 12' ' ' LEU . . . . . 0.562 ' CD1' ' C ' ' X' ' 12' ' ' LEU . 0.2 OUTLIER -128.69 106.16 8.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.677 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' X' X ' 13' ' ' LYS . . . . . 0.408 ' N ' HD13 ' X' ' 12' ' ' LEU . 19.9 ttpt -131.92 139.22 48.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.041 0.448 . . . . 0.0 110.126 179.061 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 14' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' X' ' 7' ' ' LEU . . . -160.39 146.33 12.41 Favored Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -131.06 134.28 46.48 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 2.6 m -141.81 162.47 35.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.067 0.461 . . . . 0.0 111.3 -178.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 12.6 t -141.8 129.95 22.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.387 178.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 18' ' ' THR . . . . . 0.457 HG23 ' N ' ' X' ' 19' ' ' GLU . 1.0 OUTLIER -141.16 152.03 44.34 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.041 0.448 . . . . 0.0 110.662 -179.274 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' X' X ' 19' ' ' GLU . . . . . 0.457 ' N ' HG23 ' X' ' 18' ' ' THR . 0.6 OUTLIER -127.08 129.01 47.17 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.349 179.838 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' X' X ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.96 174.58 10.47 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.903 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 21' ' ' VAL . . . . . . . . . . . . . 7.3 p -70.95 -33.62 52.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.737 178.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 22' ' ' ASP . . . . . 0.536 ' C ' ' OH ' ' X' ' 3' ' ' TYR . 2.4 p30 -154.64 170.46 21.47 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.118 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 23' ' ' ALA . . . . . 0.435 ' HA ' ' CE2' ' X' ' 3' ' ' TYR . . . -73.58 -32.08 63.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.169 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 24' ' ' ALA . . . . . 0.423 ' N ' ' OD1' ' X' ' 22' ' ' ASP . . . -56.07 -37.45 69.33 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 25' ' ' THR . . . . . 0.417 ' N ' ' OD1' ' X' ' 22' ' ' ASP . 0.7 OUTLIER -76.53 -46.2 27.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.12 179.239 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' X' X ' 26' ' ' ALA . . . . . 0.512 ' O ' ' CD2' ' X' ' 30' ' ' PHE . . . -59.6 -35.68 74.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.522 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 27' ' ' GLU . . . . . 0.635 ' O ' ' CG ' ' X' ' 31' ' ' LYS . 27.2 tt0 -53.67 -44.33 69.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.217 -179.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 10.6 mmtt -72.32 -38.86 68.56 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.373 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 59.3 t -71.46 -54.98 15.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -177.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 30' ' ' PHE . . . . . 0.523 ' CD1' ' C ' ' X' ' 30' ' ' PHE . 2.5 p90 -74.71 -29.47 61.2 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 119.891 -0.724 . . . . 0.0 112.547 -178.041 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 31' ' ' LYS . . . . . 0.635 ' CG ' ' O ' ' X' ' 27' ' ' GLU . 45.3 mmtt -55.27 -30.46 60.16 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 119.766 -0.774 . . . . 0.0 108.931 179.537 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 32' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' X' ' 36' ' ' ASP . 17.7 tt0 -61.29 -28.91 69.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.35 179.188 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -57.08 -46.19 82.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.67 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.84 -47.97 76.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.01 0.434 . . . . 0.0 109.884 179.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -63.8 -38.1 89.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.965 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 36' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' X' ' 32' ' ' GLN . 17.7 t70 -62.55 -28.69 70.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.525 179.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 37' ' ' ASN . . . . . 0.708 ' O ' ' N ' ' X' ' 39' ' ' VAL . 31.7 m120 -118.25 53.02 0.98 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.209 -0.905 . . . . 0.0 108.59 179.354 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 38' ' ' GLY . . . . . 0.581 ' C ' ' O ' ' X' ' 37' ' ' ASN . . . 0.98 60.97 0.0 OUTLIER Glycine 0 CA--C 1.523 0.594 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.242 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 39' ' ' VAL . . . . . 0.708 ' N ' ' O ' ' X' ' 37' ' ' ASN . 47.4 t -98.15 138.15 23.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.943 0.401 . . . . 0.0 110.864 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -126.17 108.11 11.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.292 179.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . -155.44 -154.54 6.97 Favored Glycine 0 CA--C 1.518 0.242 0 N-CA-C 111.261 -0.735 . . . . 0.0 111.261 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 42' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -102.83 137.46 41.02 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 43' ' ' TRP . . . . . 0.478 ' HE1' ' HB3' ' X' ' 52' ' ' PHE . 0.5 OUTLIER -113.18 144.75 42.14 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.301 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.64 147.73 52.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.486 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 45' ' ' TYR . . . . . 0.731 ' CD1' ' CZ ' ' X' ' 52' ' ' PHE . 3.9 t80 -135.03 121.63 20.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.22 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -115.99 129.36 56.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.589 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 47' ' ' ASP . . . . . 0.574 ' OD1' ' N ' ' X' ' 48' ' ' ALA . 45.2 p-10 -76.74 -30.28 56.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.738 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 48' ' ' ALA . . . . . 0.574 ' N ' ' OD1' ' X' ' 47' ' ' ASP . . . -72.37 -31.79 65.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.779 -179.517 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 49' ' ' THR . . . . . 0.479 ' O ' ' C ' ' X' ' 50' ' ' LYS . 0.2 OUTLIER -110.51 -3.31 16.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.773 -179.901 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' X' X ' 50' ' ' LYS . . . . . 0.479 ' C ' ' O ' ' X' ' 49' ' ' THR . 1.8 ptpt 34.69 44.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.45 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 51' ' ' THR . . . . . . . . . . . . . 3.0 m -126.52 139.26 53.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.689 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 52' ' ' PHE . . . . . 0.731 ' CZ ' ' CD1' ' X' ' 45' ' ' TYR . 4.4 m-85 -120.2 132.07 55.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.388 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 53' ' ' THR . . . . . 0.504 ' CG2' ' N ' ' X' ' 54' ' ' VAL . 1.4 m -144.45 159.06 43.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.032 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 54' ' ' VAL . . . . . 0.504 ' N ' ' CG2' ' X' ' 53' ' ' THR . 0.9 OUTLIER -128.2 125.8 64.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.735 179.83 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' X' X ' 55' ' ' THR . . . . . . . . . . . . . 3.0 m -125.82 129.84 50.2 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.06 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.616 -179.908 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' X' X ' 1' ' ' MET . . . . . 0.706 ' O ' ' CE1' ' X' ' 3' ' ' TYR . 1.2 ptt? . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 2' ' ' GLN . . . . . 0.64 ' CD ' ' H ' ' X' ' 2' ' ' GLN . 0.0 OUTLIER -91.82 129.98 37.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.968 0.413 . . . . 0.0 110.818 -179.761 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' X' X ' 3' ' ' TYR . . . . . 0.706 ' CE1' ' O ' ' X' ' 1' ' ' MET . 0.0 OUTLIER -123.35 151.21 42.73 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.955 179.32 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . 0.485 ' O ' ' O ' ' X' ' 52' ' ' PHE . 15.0 mmtp -118.22 143.18 46.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.259 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 5' ' ' LEU . . . . . 0.497 ' CD1' ' C ' ' X' ' 5' ' ' LEU . 3.1 tm? -117.46 114.61 23.75 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.468 -179.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 6' ' ' ILE . . . . . 0.477 ' H ' HG22 ' X' ' 53' ' ' THR . 8.1 mm -116.55 132.41 66.29 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.232 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.041 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 7' ' ' LEU . . . . . 0.546 ' N ' ' O ' ' X' ' 14' ' ' GLY . 0.8 OUTLIER -114.01 129.68 56.59 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.419 179.38 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' X' X ' 8' ' ' ASN . . . . . 0.513 ' O ' ' O ' ' X' ' 12' ' ' LEU . 21.7 m120 -126.72 -164.91 1.39 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.422 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.24 -169.15 22.76 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 10' ' ' LYS . . . . . 0.481 ' N ' ' HD3' ' X' ' 10' ' ' LYS . 14.1 mmtt -71.53 -57.78 4.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.906 0.384 . . . . 0.0 110.295 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -124.5 5.41 8.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.422 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 12' ' ' LEU . . . . . 0.561 ' CD1' ' C ' ' X' ' 12' ' ' LEU . 0.8 OUTLIER -107.89 105.86 15.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.739 -179.913 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 11.0 ttmt -133.69 139.7 46.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.997 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 14' ' ' GLY . . . . . 0.546 ' O ' ' N ' ' X' ' 7' ' ' LEU . . . -160.94 143.16 8.67 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -132.52 135.96 46.32 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 16' ' ' THR . . . . . 0.567 ' CG2' ' N ' ' X' ' 17' ' ' THR . 1.0 OUTLIER -142.25 164.23 30.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.945 0.402 . . . . 0.0 111.003 -178.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' X' X ' 17' ' ' THR . . . . . 0.567 ' N ' ' CG2' ' X' ' 16' ' ' THR . 0.1 OUTLIER -137.89 130.46 29.53 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.654 179.428 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 1.8 m -145.49 150.25 36.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.949 0.404 . . . . 0.0 110.895 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -124.17 132.51 53.63 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.01 179.353 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.64 176.56 8.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.14 0.495 . . . . 0.0 111.254 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 21' ' ' VAL . . . . . 0.412 ' HA ' ' SD ' ' X' ' 1' ' ' MET . 29.3 m -71.44 -37.41 64.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.698 179.074 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 22' ' ' ASP . . . . . 0.543 ' C ' ' OH ' ' X' ' 3' ' ' TYR . 2.6 p30 -154.65 171.73 19.03 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.088 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.63 -29.9 63.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.443 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 24' ' ' ALA . . . . . 0.52 ' N ' ' OD1' ' X' ' 22' ' ' ASP . . . -55.85 -38.37 69.98 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 25' ' ' THR . . . . . . . . . . . . . 1.6 p -77.58 -43.74 30.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.977 178.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 26' ' ' ALA . . . . . 0.473 ' O ' ' CD2' ' X' ' 30' ' ' PHE . . . -57.43 -34.64 69.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.491 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 27' ' ' GLU . . . . . 0.54 ' OE1' ' C ' ' X' ' 27' ' ' GLU . 0.5 OUTLIER -52.45 -40.5 62.34 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.164 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' X' X ' 28' ' ' LYS . . . . . 0.511 ' N ' ' HG3' ' X' ' 27' ' ' GLU . 0.4 OUTLIER -72.25 -39.83 68.13 Favored 'General case' 0 C--N 1.317 -0.832 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.885 179.854 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 98.5 t -73.03 -56.16 10.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 113.507 0.929 . . . . 0.0 113.507 -178.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 30' ' ' PHE . . . . . 0.686 ' CD1' ' N ' ' X' ' 31' ' ' LYS . 3.7 p90 -75.09 -41.98 57.62 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 120.149 -0.62 . . . . 0.0 112.535 -177.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 31' ' ' LYS . . . . . 0.686 ' N ' ' CD1' ' X' ' 30' ' ' PHE . 1.8 tppp? -55.87 -29.14 59.45 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 119.733 -0.787 . . . . 0.0 109.168 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 32' ' ' GLN . . . . . 0.558 ' O ' ' N ' ' X' ' 36' ' ' ASP . 18.9 tt0 -60.88 -30.02 69.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.243 178.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -57.94 -46.1 85.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.524 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.02 -47.16 75.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.019 0.438 . . . . 0.0 110.047 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 35' ' ' ASN . . . . . 0.537 HD21 ' N ' ' X' ' 35' ' ' ASN . 1.7 m120 -67.72 -39.9 84.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.48 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 36' ' ' ASP . . . . . 0.558 ' N ' ' O ' ' X' ' 32' ' ' GLN . 44.8 t0 -66.79 -29.65 69.65 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.043 179.677 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 37' ' ' ASN . . . . . 0.683 ' O ' ' N ' ' X' ' 39' ' ' VAL . 7.4 t-20 -110.63 54.07 0.68 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.286 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 38' ' ' GLY . . . . . 0.575 ' C ' ' O ' ' X' ' 37' ' ' ASN . . . 4.18 58.94 0.0 OUTLIER Glycine 0 CA--C 1.524 0.636 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.506 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 39' ' ' VAL . . . . . 0.683 ' N ' ' O ' ' X' ' 37' ' ' ASN . 5.0 t -94.45 130.95 42.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.496 179.528 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -123.73 107.56 11.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.009 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . -160.47 -144.95 4.13 Favored Glycine 0 CA--C 1.517 0.193 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 42' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -101.54 139.54 37.06 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 178.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 43' ' ' TRP . . . . . 0.606 ' CZ2' ' CG2' ' X' ' 54' ' ' VAL . 0.1 OUTLIER -109.85 139.54 44.81 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.949 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.87 166.77 20.16 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.711 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 45' ' ' TYR . . . . . 0.797 ' CD1' ' CE2' ' X' ' 52' ' ' PHE . 3.5 t80 -157.89 135.59 10.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.451 179.459 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 46' ' ' ASP . . . . . 0.588 ' N ' ' CD1' ' X' ' 45' ' ' TYR . 5.4 m-20 -121.55 118.88 30.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.544 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -77.07 -30.38 55.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.548 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.46 -33.34 42.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.735 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 49' ' ' THR . . . . . 0.483 ' C ' ' CG ' ' X' ' 50' ' ' LYS . 3.6 p -101.89 -0.26 34.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.703 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 50' ' ' LYS . . . . . 0.483 ' CG ' ' C ' ' X' ' 49' ' ' THR . 3.2 pttm 36.74 35.9 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.752 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 51' ' ' THR . . . . . 0.454 ' HB ' ' HG1' ' X' ' 49' ' ' THR . 11.5 m -114.71 137.35 52.02 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.172 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 52' ' ' PHE . . . . . 0.797 ' CE2' ' CD1' ' X' ' 45' ' ' TYR . 81.3 m-85 -118.81 131.31 56.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.599 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 53' ' ' THR . . . . . 0.477 HG22 ' H ' ' X' ' 6' ' ' ILE . 39.9 p -146.91 159.78 43.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.673 -179.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 54' ' ' VAL . . . . . 0.606 ' CG2' ' CZ2' ' X' ' 43' ' ' TRP . 1.7 t -127.06 128.32 70.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 179.345 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 55' ' ' THR . . . . . . . . . . . . . 2.8 m -125.24 129.26 49.7 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.385 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.451 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 1' ' ' MET . . . . . 0.748 ' N ' ' SD ' ' X' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 2' ' ' GLN . . . . . 0.673 ' OE1' ' N ' ' X' ' 1' ' ' MET . 0.0 OUTLIER -91.95 120.6 32.76 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.694 -179.705 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' X' X ' 3' ' ' TYR . . . . . 0.703 ' CZ ' ' O ' ' X' ' 1' ' ' MET . 0.0 OUTLIER -122.94 139.32 54.18 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.734 179.759 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' X' ' 52' ' ' PHE . 25.1 tttt -118.14 140.01 50.41 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.039 179.565 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 5' ' ' LEU . . . . . 0.441 ' CD1' ' C ' ' X' ' 5' ' ' LEU . 2.8 tm? -114.75 111.7 21.67 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.085 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 6' ' ' ILE . . . . . 0.482 ' H ' HG21 ' X' ' 53' ' ' THR . 2.0 mm -115.6 130.5 70.12 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.292 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.819 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 mp -113.78 130.56 56.43 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.485 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 8' ' ' ASN . . . . . 0.5 ' O ' ' O ' ' X' ' 12' ' ' LEU . 0.4 OUTLIER -124.82 -163.98 1.23 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.024 179.783 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . 134.38 -173.53 21.37 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.676 -0.969 . . . . 0.0 110.676 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 10' ' ' LYS . . . . . 0.477 ' HG2' ' H ' ' X' ' 11' ' ' THR . 0.0 OUTLIER -69.24 -56.13 8.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.842 0.354 . . . . 0.0 110.68 -179.843 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' X' X ' 11' ' ' THR . . . . . 0.477 ' H ' ' HG2' ' X' ' 10' ' ' LYS . 1.5 t -123.65 8.74 8.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.523 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 12' ' ' LEU . . . . . 0.5 ' O ' ' O ' ' X' ' 8' ' ' ASN . 0.4 OUTLIER -115.53 106.03 13.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.076 -179.72 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 16.3 ttpp -130.76 139.34 50.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.627 178.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -159.58 147.37 14.54 Favored Glycine 0 CA--C 1.521 0.451 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -138.33 135.92 35.87 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 16' ' ' THR . . . . . 0.589 ' CG2' ' N ' ' X' ' 17' ' ' THR . 1.9 m -140.21 163.2 33.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.134 0.492 . . . . 0.0 111.248 -178.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 17' ' ' THR . . . . . 0.589 ' N ' ' CG2' ' X' ' 16' ' ' THR . 2.1 p -139.18 130.64 27.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.896 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 1.8 m -146.33 151.8 38.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.026 0.441 . . . . 0.0 111.069 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 19' ' ' GLU . . . . . 0.67 ' OE1' ' N ' ' X' ' 20' ' ' ALA . 0.4 OUTLIER -125.32 133.86 52.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.01 179.453 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' X' X ' 20' ' ' ALA . . . . . 0.67 ' N ' ' OE1' ' X' ' 19' ' ' GLU . . . -143.77 176.64 9.09 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.182 0.515 . . . . 0.0 111.219 -179.471 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 21' ' ' VAL . . . . . 0.46 HG13 ' H ' ' X' ' 22' ' ' ASP . 7.2 p -72.33 -36.98 57.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.1 179.352 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 22' ' ' ASP . . . . . 0.534 ' C ' ' OH ' ' X' ' 3' ' ' TYR . 2.4 p30 -152.88 170.82 19.41 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.291 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 23' ' ' ALA . . . . . 0.469 ' HA ' ' CE2' ' X' ' 3' ' ' TYR . . . -73.01 -30.01 63.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.723 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 24' ' ' ALA . . . . . 0.511 ' N ' ' OD1' ' X' ' 22' ' ' ASP . . . -55.63 -36.61 67.19 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.97 -44.62 30.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.114 178.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 26' ' ' ALA . . . . . 0.601 ' O ' ' CD2' ' X' ' 30' ' ' PHE . . . -61.09 -36.08 78.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.465 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 27' ' ' GLU . . . . . 0.555 ' O ' ' OE1' ' X' ' 27' ' ' GLU . 0.0 OUTLIER -53.96 -41.3 67.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.452 -179.626 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' X' X ' 28' ' ' LYS . . . . . 0.476 ' N ' ' HG3' ' X' ' 27' ' ' GLU . 0.0 OUTLIER -74.14 -40.88 62.32 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.351 -179.7 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 79.5 t -71.99 -55.26 14.02 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 N-CA-C 113.48 0.919 . . . . 0.0 113.48 -178.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 30' ' ' PHE . . . . . 0.601 ' CD2' ' O ' ' X' ' 26' ' ' ALA . 3.5 p90 -74.48 -31.71 62.3 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 120.046 -0.661 . . . . 0.0 112.631 -177.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 31' ' ' LYS . . . . . 0.543 ' NZ ' ' CE3' ' X' ' 43' ' ' TRP . 10.9 tppt? -55.97 -29.94 61.0 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 119.85 -0.74 . . . . 0.0 109.108 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -61.88 -29.51 70.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.744 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -57.58 -46.56 83.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 -179.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.26 -47.14 77.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.946 0.403 . . . . 0.0 110.212 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 45.9 t-20 -64.21 -41.25 97.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.458 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -66.72 -30.45 70.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.129 0.49 . . . . 0.0 109.949 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 37' ' ' ASN . . . . . 0.696 ' O ' ' N ' ' X' ' 39' ' ' VAL . 1.5 m-80 -110.98 53.31 0.71 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 179.457 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 38' ' ' GLY . . . . . 0.586 ' C ' ' O ' ' X' ' 37' ' ' ASN . . . 3.9 59.27 0.0 OUTLIER Glycine 0 CA--C 1.524 0.599 0 CA-C-N 115.868 -0.605 . . . . 0.0 112.141 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 39' ' ' VAL . . . . . 0.696 ' N ' ' O ' ' X' ' 37' ' ' ASN . 56.0 t -95.38 129.69 45.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.967 0.413 . . . . 0.0 110.717 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -125.26 107.36 10.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.124 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . -157.52 -151.74 6.12 Favored Glycine 0 CA--C 1.519 0.298 0 N-CA-C 111.089 -0.805 . . . . 0.0 111.089 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 42' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -102.37 138.08 39.78 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 179.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 43' ' ' TRP . . . . . 0.543 ' CE3' ' NZ ' ' X' ' 31' ' ' LYS . 0.7 OUTLIER -113.0 141.44 46.84 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.577 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.36 155.53 45.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.956 179.341 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 45' ' ' TYR . . . . . 0.706 ' CD1' ' CE2' ' X' ' 52' ' ' PHE . 1.5 t80 -141.29 127.41 19.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.962 0.411 . . . . 0.0 110.911 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 46' ' ' ASP . . . . . 0.572 ' N ' ' CD1' ' X' ' 45' ' ' TYR . 1.4 m-20 -116.91 122.51 44.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.237 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 47' ' ' ASP . . . . . 0.605 ' OD1' ' N ' ' X' ' 48' ' ' ALA . 6.1 p30 -76.45 -28.67 56.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.829 -179.626 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 48' ' ' ALA . . . . . 0.605 ' N ' ' OD1' ' X' ' 47' ' ' ASP . . . -74.73 -32.32 62.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.786 -179.511 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 49' ' ' THR . . . . . . . . . . . . . 3.0 p -110.19 -3.93 16.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.699 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 50' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' X' ' 46' ' ' ASP . 0.0 OUTLIER 40.84 41.43 1.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.271 -179.784 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' X' X ' 51' ' ' THR . . . . . . . . . . . . . 99.5 m -118.1 134.61 54.83 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.847 0.356 . . . . 0.0 111.074 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 52' ' ' PHE . . . . . 0.706 ' CE2' ' CD1' ' X' ' 45' ' ' TYR . 38.7 m-85 -118.62 132.04 56.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.144 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 53' ' ' THR . . . . . 0.482 HG21 ' H ' ' X' ' 6' ' ' ILE . 57.2 p -143.41 155.79 44.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.541 -179.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 54' ' ' VAL . . . . . 0.476 HG22 ' CZ3' ' X' ' 43' ' ' TRP . 0.6 OUTLIER -129.54 126.62 63.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.862 0.363 . . . . 0.0 110.438 179.653 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' X' X ' 55' ' ' THR . . . . . . . . . . . . . 2.9 m -125.36 131.32 53.0 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.069 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.621 -179.805 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' X' X ' 1' ' ' MET . . . . . 0.708 ' O ' ' CZ ' ' X' ' 3' ' ' TYR . 4.7 ptm . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 2' ' ' GLN . . . . . 0.635 ' NE2' ' O ' ' X' ' 2' ' ' GLN . 1.4 pm0 -92.7 131.77 37.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.801 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 3' ' ' TYR . . . . . 0.731 ' CD1' ' N ' ' X' ' 3' ' ' TYR . 0.0 OUTLIER -125.24 150.94 46.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.141 179.757 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 20.5 ttpt -118.91 139.47 51.59 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.77 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 5' ' ' LEU . . . . . 0.532 ' CD1' ' C ' ' X' ' 5' ' ' LEU . 2.6 tm? -114.43 117.6 31.46 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.371 179.279 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 6' ' ' ILE . . . . . 0.461 ' N ' HD21 ' X' ' 5' ' ' LEU . 2.0 mm -115.69 134.17 59.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 -179.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 7' ' ' LEU . . . . . 0.476 HD11 ' CD1' ' X' ' 33' ' ' TYR . 26.2 mt -113.02 122.15 46.75 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.446 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 8' ' ' ASN . . . . . 0.544 ' C ' ' O ' ' X' ' 12' ' ' LEU . 5.4 m-20 -124.84 -164.51 1.28 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.773 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.88 178.03 15.33 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 10' ' ' LYS . . . . . . . . . . . . . 7.2 pttp -67.86 -48.78 65.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.717 -0.242 . . . . 0.0 111.193 -179.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 11' ' ' THR . . . . . . . . . . . . . 64.0 p -123.61 12.89 9.32 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.1 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 12' ' ' LEU . . . . . 0.553 ' CD1' ' C ' ' X' ' 12' ' ' LEU . 0.6 OUTLIER -132.13 107.41 8.61 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.112 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' X' X ' 13' ' ' LYS . . . . . 0.408 ' N ' HD13 ' X' ' 12' ' ' LEU . 6.5 ttpm? -135.45 140.23 44.71 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.261 178.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -160.54 168.05 35.91 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -137.09 136.19 38.13 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 179.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 16' ' ' THR . . . . . 0.49 HG21 ' H ' ' X' ' 17' ' ' THR . 1.4 m -140.52 161.71 37.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.15 0.5 . . . . 0.0 111.673 -178.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 17' ' ' THR . . . . . 0.49 ' H ' HG21 ' X' ' 16' ' ' THR . 26.2 p -141.58 130.56 23.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.398 179.028 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -146.96 148.51 31.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.206 0.527 . . . . 0.0 111.733 -179.057 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.98 135.56 50.09 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.724 179.252 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 20' ' ' ALA . . . . . . . . . . . . . . . -144.75 176.46 9.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.286 0.565 . . . . 0.0 111.632 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 21' ' ' VAL . . . . . . . . . . . . . 98.2 t -72.4 -38.8 61.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.932 179.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 22' ' ' ASP . . . . . 0.592 ' OD1' ' N ' ' X' ' 24' ' ' ALA . 2.5 p30 -153.44 167.73 28.45 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.064 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 23' ' ' ALA . . . . . 0.61 ' O ' ' N ' ' X' ' 27' ' ' GLU . . . -70.35 -30.13 66.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.478 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 24' ' ' ALA . . . . . 0.592 ' N ' ' OD1' ' X' ' 22' ' ' ASP . . . -56.64 -36.14 69.16 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 179.591 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 25' ' ' THR . . . . . 0.498 ' OG1' ' O ' ' X' ' 22' ' ' ASP . 3.3 p -76.84 -47.31 21.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.964 178.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 26' ' ' ALA . . . . . 0.419 ' O ' ' CD1' ' X' ' 30' ' ' PHE . . . -68.12 -38.1 81.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.442 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 27' ' ' GLU . . . . . 0.61 ' N ' ' O ' ' X' ' 23' ' ' ALA . 12.3 tt0 -54.99 -42.82 72.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 -179.426 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.56 -42.82 70.62 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.253 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 25.2 t -70.02 -39.47 77.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.695 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 30' ' ' PHE . . . . . 0.46 ' CE2' ' HB2' ' X' ' 5' ' ' LEU . 3.3 m-85 -62.51 -45.48 92.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.176 -179.334 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 31' ' ' LYS . . . . . 0.472 ' CG ' ' O ' ' X' ' 27' ' ' GLU . 13.9 mmtt -58.79 -30.75 67.82 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 32' ' ' GLN . . . . . 0.574 ' OE1' ' N ' ' X' ' 33' ' ' TYR . 0.4 OUTLIER -68.65 -32.1 71.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.987 179.329 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' X' X ' 33' ' ' TYR . . . . . 0.574 ' N ' ' OE1' ' X' ' 32' ' ' GLN . 2.1 t80 -59.3 -46.26 89.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.038 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.71 -47.21 70.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.018 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -62.54 -43.22 99.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.724 179.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 36' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' X' ' 32' ' ' GLN . 48.1 t0 -65.72 -29.74 70.31 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.171 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 37' ' ' ASN . . . . . 0.65 ' O ' ' N ' ' X' ' 39' ' ' VAL . 7.5 m-80 -113.5 52.98 0.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 179.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 38' ' ' GLY . . . . . 0.592 ' C ' ' O ' ' X' ' 37' ' ' ASN . . . 3.91 61.4 0.0 OUTLIER Glycine 0 CA--C 1.525 0.677 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.066 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 39' ' ' VAL . . . . . 0.65 ' N ' ' O ' ' X' ' 37' ' ' ASN . 55.6 t -95.52 110.37 24.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.834 -0.347 . . . . 0.0 110.924 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -111.91 106.27 14.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.102 179.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . -158.62 -151.03 5.95 Favored Glycine 0 CA--C 1.519 0.289 0 N-CA-C 110.861 -0.895 . . . . 0.0 110.861 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 42' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -102.62 136.16 42.95 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 43' ' ' TRP . . . . . 0.507 ' HE1' ' HB3' ' X' ' 52' ' ' PHE . 0.6 OUTLIER -111.94 141.62 45.36 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.543 -179.907 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 6.6 t -126.53 151.19 48.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.367 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 45' ' ' TYR . . . . . 0.527 ' CE2' ' CE1' ' X' ' 52' ' ' PHE . 18.9 t80 -128.89 122.85 31.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.44 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 46' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' X' ' 50' ' ' LYS . 5.8 m-20 -120.17 118.6 30.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.454 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -76.32 -30.4 57.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.484 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.03 -32.4 61.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.6 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 49' ' ' THR . . . . . 0.465 ' O ' ' C ' ' X' ' 50' ' ' LYS . 0.2 OUTLIER -107.86 -3.34 19.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.408 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' X' X ' 50' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' X' ' 49' ' ' THR . 1.7 ptpp? 34.82 38.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.561 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 51' ' ' THR . . . . . 0.403 ' N ' ' O ' ' X' ' 49' ' ' THR . 7.0 m -120.91 137.6 54.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.607 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 52' ' ' PHE . . . . . 0.527 ' CE1' ' CE2' ' X' ' 45' ' ' TYR . 3.2 m-85 -119.63 133.18 55.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.541 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 53' ' ' THR . . . . . 0.478 HG23 ' N ' ' X' ' 54' ' ' VAL . 3.4 m -140.33 151.27 44.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.002 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 54' ' ' VAL . . . . . 0.478 ' N ' HG23 ' X' ' 53' ' ' THR . 0.0 OUTLIER -130.1 126.83 62.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.949 0.404 . . . . 0.0 110.811 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' X' X ' 55' ' ' THR . . . . . . . . . . . . . 11.2 m -126.1 133.31 51.69 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.15 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 . . . . . 0 C--N 1.325 -0.499 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.505 -180.0 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' X' X ' 1' ' ' MET . . . . . 0.721 ' N ' ' SD ' ' X' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 2' ' ' GLN . . . . . 0.756 ' NE2' ' H ' ' X' ' 2' ' ' GLN . 0.0 OUTLIER -91.78 136.5 33.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.462 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' X' X ' 3' ' ' TYR . . . . . 0.698 ' CZ ' ' O ' ' X' ' 1' ' ' MET . 0.0 OUTLIER -125.65 153.4 43.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.033 179.694 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . 0.473 ' O ' ' O ' ' X' ' 52' ' ' PHE . 9.2 ttpp -118.56 142.35 47.7 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.601 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 5' ' ' LEU . . . . . 0.404 ' HG ' ' CD1' ' X' ' 30' ' ' PHE . 0.2 OUTLIER -111.7 119.18 37.76 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.841 179.666 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' X' X ' 6' ' ' ILE . . . . . 0.458 HG23 HD22 ' X' ' 8' ' ' ASN . 2.5 mm -115.46 129.68 71.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.652 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 7' ' ' LEU . . . . . 0.401 HD13 ' N ' ' X' ' 7' ' ' LEU . 6.6 mp -113.3 130.69 56.19 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.253 179.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 8' ' ' ASN . . . . . 0.518 ' C ' ' O ' ' X' ' 12' ' ' LEU . 0.7 OUTLIER -131.68 -162.44 1.23 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.571 -179.449 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . 135.34 -174.16 21.36 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.587 -1.005 . . . . 0.0 110.587 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 10' ' ' LYS . . . . . 0.665 ' H ' ' CE ' ' X' ' 10' ' ' LYS . 0.0 OUTLIER -76.05 -46.95 26.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.699 0.285 . . . . 0.0 110.824 -179.63 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' X' X ' 11' ' ' THR . . . . . . . . . . . . . 33.8 p -125.06 18.78 8.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.647 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 12' ' ' LEU . . . . . 0.518 ' O ' ' C ' ' X' ' 8' ' ' ASN . 11.3 tp -135.21 116.91 14.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.431 -179.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 13' ' ' LYS . . . . . 0.412 ' HG2' ' N ' ' X' ' 14' ' ' GLY . 0.0 OUTLIER -141.4 139.11 33.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.459 178.893 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' X' X ' 14' ' ' GLY . . . . . 0.412 ' N ' ' HG2' ' X' ' 13' ' ' LYS . . . -163.79 154.41 25.29 Favored Glycine 0 CA--C 1.521 0.409 0 N-CA-C 110.462 -1.055 . . . . 0.0 110.462 179.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -129.95 137.52 50.37 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.09 160.45 39.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.116 0.484 . . . . 0.0 111.53 -179.007 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -142.26 130.99 22.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.474 179.173 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 1.2 m -142.21 152.09 42.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.0 0.428 . . . . 0.0 111.11 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -122.57 136.77 54.97 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.353 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 20' ' ' ALA . . . . . 0.42 ' O ' ' CG ' ' X' ' 1' ' ' MET . . . -146.68 177.15 9.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.734 -179.649 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 21' ' ' VAL . . . . . . . . . . . . . 7.4 p -70.86 -38.88 74.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.638 178.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 22' ' ' ASP . . . . . 0.557 ' OD1' ' N ' ' X' ' 24' ' ' ALA . 2.4 p30 -155.7 169.62 23.92 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.006 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 23' ' ' ALA . . . . . 0.677 ' O ' ' N ' ' X' ' 27' ' ' GLU . . . -71.76 -29.58 64.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.461 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 24' ' ' ALA . . . . . 0.557 ' N ' ' OD1' ' X' ' 22' ' ' ASP . . . -56.62 -38.98 72.84 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 179.59 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 25' ' ' THR . . . . . . . . . . . . . 20.3 p -77.73 -47.63 18.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.192 179.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.42 -38.22 81.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.807 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 27' ' ' GLU . . . . . 0.677 ' N ' ' O ' ' X' ' 23' ' ' ALA . 69.5 tt0 -54.45 -42.73 70.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.819 -179.309 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.6 -37.89 80.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.879 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 25.5 t -69.85 -39.56 77.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.784 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 30' ' ' PHE . . . . . 0.404 ' CD1' ' HG ' ' X' ' 5' ' ' LEU . 32.3 m-85 -65.08 -44.13 89.9 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.05 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 31' ' ' LYS . . . . . 0.483 ' HZ2' ' CG ' ' X' ' 27' ' ' GLU . 8.1 mmtp -57.34 -30.59 64.94 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -67.92 -30.99 70.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.604 178.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -59.67 -46.49 88.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.188 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.01 -45.08 86.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.942 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.54 -41.27 80.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.273 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -64.03 -30.26 71.35 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 37' ' ' ASN . . . . . 0.689 ' O ' ' N ' ' X' ' 39' ' ' VAL . 25.7 m120 -114.29 53.03 0.81 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.274 -0.876 . . . . 0.0 108.692 179.125 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 38' ' ' GLY . . . . . 0.572 ' C ' ' O ' ' X' ' 37' ' ' ASN . . . 2.95 60.28 0.0 OUTLIER Glycine 0 CA--C 1.524 0.625 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.18 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 39' ' ' VAL . . . . . 0.689 ' N ' ' O ' ' X' ' 37' ' ' ASN . 51.9 t -95.51 123.45 47.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.022 0.439 . . . . 0.0 110.788 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -118.27 107.67 14.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.006 179.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . -160.24 -145.6 4.33 Favored Glycine 0 CA--C 1.517 0.192 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 42' ' ' GLU . . . . . 0.542 ' N ' ' O ' ' X' ' 55' ' ' THR . 0.3 OUTLIER -101.09 137.54 39.31 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.811 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' X' X ' 43' ' ' TRP . . . . . 0.442 ' CE2' ' HB ' ' X' ' 54' ' ' VAL . 2.1 m95 -111.34 141.17 45.23 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.43 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 44' ' ' THR . . . . . 0.537 ' HG1' ' N ' ' X' ' 45' ' ' TYR . 0.1 OUTLIER -135.07 165.79 24.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.355 179.864 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' X' X ' 45' ' ' TYR . . . . . 0.56 ' CD1' ' CZ ' ' X' ' 52' ' ' PHE . 4.6 t80 -156.19 133.62 10.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.544 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 46' ' ' ASP . . . . . 0.506 ' N ' ' CD1' ' X' ' 45' ' ' TYR . 3.8 m-20 -121.05 121.28 37.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.577 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 47' ' ' ASP . . . . . 0.508 ' N ' ' OD1' ' X' ' 47' ' ' ASP . 10.6 p30 -77.34 -31.37 54.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.447 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.16 -32.89 44.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.668 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 49' ' ' THR . . . . . 0.47 ' O ' ' C ' ' X' ' 50' ' ' LYS . 0.2 OUTLIER -101.93 -0.96 33.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.795 -179.912 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' X' X ' 50' ' ' LYS . . . . . 0.47 ' C ' ' O ' ' X' ' 49' ' ' THR . 5.4 pttm 34.84 43.29 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.526 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 51' ' ' THR . . . . . . . . . . . . . 98.1 m -120.46 137.13 54.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.497 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 52' ' ' PHE . . . . . 0.56 ' CZ ' ' CD1' ' X' ' 45' ' ' TYR . 17.3 m-85 -115.81 131.21 57.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.228 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 53' ' ' THR . . . . . 0.437 ' CG2' ' N ' ' X' ' 54' ' ' VAL . 3.0 m -144.54 154.87 43.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.829 -179.548 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 54' ' ' VAL . . . . . 0.442 ' HB ' ' CE2' ' X' ' 43' ' ' TRP . 1.6 p -133.09 124.13 49.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.1 179.24 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 55' ' ' THR . . . . . 0.542 ' O ' ' N ' ' X' ' 42' ' ' GLU . 0.3 OUTLIER -125.98 136.71 53.31 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 179.72 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' X' X ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.32 -0.679 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.507 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 1' ' ' MET . . . . . 0.697 ' O ' ' CZ ' ' X' ' 3' ' ' TYR . 2.9 ppp? . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 2' ' ' GLN . . . . . 0.593 ' CD ' ' H ' ' X' ' 2' ' ' GLN . 0.0 OUTLIER -92.56 132.37 36.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.101 -179.572 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' X' X ' 3' ' ' TYR . . . . . 0.697 ' CZ ' ' O ' ' X' ' 1' ' ' MET . 0.0 OUTLIER -125.82 151.03 47.33 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.525 179.608 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -119.72 143.56 47.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.57 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 5' ' ' LEU . . . . . 0.455 HD21 ' N ' ' X' ' 6' ' ' ILE . 0.1 OUTLIER -119.3 123.31 43.91 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.157 179.803 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' X' X ' 6' ' ' ILE . . . . . 0.455 ' N ' HD21 ' X' ' 5' ' ' LEU . 1.7 mm -116.15 133.93 61.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.185 179.366 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 7' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' X' ' 14' ' ' GLY . 4.4 mm? -112.65 128.33 56.36 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.033 0.444 . . . . 0.0 110.527 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -133.67 -162.55 1.26 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.315 -179.489 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . 135.28 -158.23 23.53 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 10' ' ' LYS . . . . . 0.454 ' NZ ' ' O ' ' X' ' 56' ' ' GLU . 19.8 mmtt -70.54 -65.86 0.68 Allowed 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 121.583 0.706 . . . . 0.0 110.18 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 11' ' ' THR . . . . . 0.628 ' O ' ' CG2' ' X' ' 11' ' ' THR . 5.0 m -128.17 22.99 6.08 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 114.467 -1.242 . . . . 0.0 110.198 -178.472 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 12' ' ' LEU . . . . . 0.538 ' CD1' ' C ' ' X' ' 12' ' ' LEU . 1.0 OUTLIER -122.82 106.72 11.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.437 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' X' X ' 13' ' ' LYS . . . . . 0.459 ' HG2' ' N ' ' X' ' 14' ' ' GLY . 0.2 OUTLIER -131.57 139.56 49.24 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.976 0.417 . . . . 0.0 110.51 179.32 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' X' X ' 14' ' ' GLY . . . . . 0.497 ' O ' ' N ' ' X' ' 7' ' ' LEU . . . -158.93 149.92 20.23 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 110.614 -0.995 . . . . 0.0 110.614 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -130.1 136.4 49.28 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 16' ' ' THR . . . . . 0.576 ' OG1' ' OH ' ' X' ' 33' ' ' TYR . 1.8 m -140.32 159.12 42.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.041 0.448 . . . . 0.0 111.229 -179.067 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 17' ' ' THR . . . . . 0.533 ' N ' ' CG2' ' X' ' 16' ' ' THR . 9.8 t -142.31 130.7 22.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.77 179.197 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 1.9 m -145.4 152.56 40.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.938 0.399 . . . . 0.0 111.012 -179.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -124.36 135.2 53.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.325 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 20' ' ' ALA . . . . . . . . . . . . . . . -140.35 178.09 7.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.024 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 21' ' ' VAL . . . . . . . . . . . . . 45.7 t -70.07 -38.8 76.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.406 178.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 22' ' ' ASP . . . . . 0.564 ' C ' ' OH ' ' X' ' 3' ' ' TYR . 53.1 p30 -155.6 172.33 18.46 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.998 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 23' ' ' ALA . . . . . 0.66 ' O ' ' N ' ' X' ' 27' ' ' GLU . . . -73.17 -30.54 63.64 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.742 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.29 -39.6 72.95 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 25' ' ' THR . . . . . 0.456 ' OG1' ' OD1' ' X' ' 22' ' ' ASP . 36.3 p -78.6 -47.02 17.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.276 178.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.81 -37.6 82.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.726 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 27' ' ' GLU . . . . . 0.66 ' N ' ' O ' ' X' ' 23' ' ' ALA . 68.5 tt0 -54.01 -42.28 68.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.854 -179.319 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 28' ' ' LYS . . . . . 0.411 ' HD2' ' N ' ' X' ' 28' ' ' LYS . 0.0 OUTLIER -65.18 -38.2 89.75 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.177 179.823 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 61.6 t -69.88 -39.33 77.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.812 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 30' ' ' PHE . . . . . 0.466 ' CE2' ' HB2' ' X' ' 3' ' ' TYR . 38.8 m-85 -66.19 -42.93 88.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.114 -179.506 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 31' ' ' LYS . . . . . 0.454 ' CG ' ' O ' ' X' ' 27' ' ' GLU . 0.1 OUTLIER -56.81 -32.09 65.36 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -67.49 -30.22 69.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.884 178.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 33' ' ' TYR . . . . . 0.576 ' OH ' ' OG1' ' X' ' 16' ' ' THR . 3.6 t80 -58.28 -46.59 85.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.313 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.5 -45.45 90.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.119 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -68.01 -40.99 82.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.362 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -66.25 -31.03 71.6 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.145 0.497 . . . . 0.0 109.973 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 37' ' ' ASN . . . . . 0.704 ' O ' ' N ' ' X' ' 39' ' ' VAL . 25.6 m120 -111.32 53.35 0.71 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.535 -0.757 . . . . 0.0 108.972 179.426 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 38' ' ' GLY . . . . . 0.593 ' C ' ' O ' ' X' ' 37' ' ' ASN . . . 3.55 58.8 0.0 OUTLIER Glycine 0 CA--C 1.524 0.626 0 O-C-N 123.694 0.622 . . . . 0.0 112.237 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 39' ' ' VAL . . . . . 0.704 ' N ' ' O ' ' X' ' 37' ' ' ASN . 39.9 t -96.71 131.96 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.863 0.363 . . . . 0.0 110.829 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -125.72 106.65 9.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.077 179.233 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . -160.41 -146.97 4.77 Favored Glycine 0 CA--C 1.516 0.138 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 42' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -101.92 140.57 36.02 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 178.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 43' ' ' TRP . . . . . . . . . . . . . 9.0 m95 -112.33 142.33 44.97 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.089 0.471 . . . . 0.0 110.686 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.83 170.01 16.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.203 179.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 45' ' ' TYR . . . . . 0.702 ' CE2' ' CZ ' ' X' ' 52' ' ' PHE . 21.6 t80 -151.75 131.34 13.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.639 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -122.73 114.24 20.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.521 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 47' ' ' ASP . . . . . 0.608 ' O ' ' CE ' ' X' ' 50' ' ' LYS . 0.7 OUTLIER -77.18 -29.57 54.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.737 -179.793 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.56 -33.27 47.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.109 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 49' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.76 -3.29 17.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.936 -179.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 50' ' ' LYS . . . . . 0.608 ' CE ' ' O ' ' X' ' 47' ' ' ASP . 27.5 mmtp 43.5 33.5 0.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.22 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 51' ' ' THR . . . . . 0.464 ' C ' ' CD1' ' X' ' 52' ' ' PHE . 82.7 m -113.97 117.7 32.08 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.848 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 52' ' ' PHE . . . . . 0.702 ' CZ ' ' CE2' ' X' ' 45' ' ' TYR . 0.6 OUTLIER -117.64 132.22 56.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.168 179.606 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' X' X ' 53' ' ' THR . . . . . . . . . . . . . 41.2 p -144.71 158.34 43.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.554 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 54' ' ' VAL . . . . . 0.418 ' CG1' HD13 ' X' ' 7' ' ' LEU . 2.4 p -127.39 126.44 67.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 179.226 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 55' ' ' THR . . . . . . . . . . . . . 4.5 m -125.23 131.19 53.18 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.302 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 56' ' ' GLU . . . . . 0.454 ' O ' ' NZ ' ' X' ' 10' ' ' LYS . 2.2 mt-10 . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.642 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 1' ' ' MET . . . . . 0.687 ' O ' ' CZ ' ' X' ' 3' ' ' TYR . 5.3 ptm . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 2' ' ' GLN . . . . . 0.426 ' H ' ' H2 ' ' X' ' 1' ' ' MET . 0.9 OUTLIER -92.32 135.53 33.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.682 -179.834 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' X' X ' 3' ' ' TYR . . . . . 0.687 ' CZ ' ' O ' ' X' ' 1' ' ' MET . 0.0 OUTLIER -123.48 149.12 45.52 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.33 179.753 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 8.1 tttp -118.86 143.27 47.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.339 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 5' ' ' LEU . . . . . 0.494 ' HG ' ' CD2' ' X' ' 30' ' ' PHE . 0.2 OUTLIER -117.22 120.78 39.3 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.249 -179.907 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' X' X ' 6' ' ' ILE . . . . . 0.404 ' N ' HD22 ' X' ' 5' ' ' LEU . 1.8 mp -115.69 132.77 64.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.16 179.139 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -112.94 131.58 55.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.606 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -131.42 -168.48 2.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.17 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . 128.72 -161.74 22.34 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -77.93 0.06 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.948 0.404 . . . . 0.0 110.12 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 11' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' X' ' 11' ' ' THR . 0.7 OUTLIER -113.02 21.31 15.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.386 179.692 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' X' X ' 12' ' ' LEU . . . . . 0.561 ' CD1' ' C ' ' X' ' 12' ' ' LEU . 0.5 OUTLIER -116.52 100.32 7.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.032 -179.91 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 8.0 ttmt -132.96 139.24 47.2 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.039 178.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -159.53 165.51 34.5 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -137.27 137.64 39.24 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.09 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.92 160.28 39.09 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.436 -0.506 . . . . 0.0 111.811 -178.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 76.2 p -142.81 129.54 20.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.084 179.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.79 150.56 35.55 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.236 -0.585 . . . . 0.0 111.781 -179.002 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -128.1 127.16 42.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.041 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 20' ' ' ALA . . . . . . . . . . . . . . . -141.99 178.64 7.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.11 0.481 . . . . 0.0 111.173 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 21' ' ' VAL . . . . . . . . . . . . . 58.5 t -69.53 -39.26 78.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.359 178.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 22' ' ' ASP . . . . . 0.548 ' C ' ' OH ' ' X' ' 3' ' ' TYR . 13.4 p30 -155.62 171.73 19.46 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.959 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 23' ' ' ALA . . . . . 0.596 ' O ' ' N ' ' X' ' 27' ' ' GLU . . . -72.61 -30.68 64.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.601 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.65 -36.69 69.81 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 25' ' ' THR . . . . . 0.53 ' O ' ' CG1' ' X' ' 29' ' ' VAL . 37.8 p -76.44 -44.86 33.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.459 178.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.3 -38.96 82.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.022 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 27' ' ' GLU . . . . . 0.596 ' N ' ' O ' ' X' ' 23' ' ' ALA . 35.6 tt0 -54.6 -48.54 72.04 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -178.482 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -60.42 -47.5 85.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.941 0.4 . . . . 0.0 110.727 -179.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 29' ' ' VAL . . . . . 0.53 ' CG1' ' O ' ' X' ' 25' ' ' THR . 0.5 OUTLIER -70.26 -35.68 64.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.596 179.54 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' X' X ' 30' ' ' PHE . . . . . 0.494 ' CD2' ' HG ' ' X' ' 5' ' ' LEU . 0.9 OUTLIER -58.62 -45.09 89.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.61 -179.78 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -57.5 -29.15 64.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.761 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 32' ' ' GLN . . . . . 0.515 ' O ' ' N ' ' X' ' 36' ' ' ASP . 4.0 tt0 -66.93 -31.08 71.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.087 179.081 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -58.83 -46.41 87.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.055 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.19 -45.99 62.24 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.09 -43.87 98.22 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.498 179.011 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 36' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' X' ' 32' ' ' GLN . 11.1 t70 -66.35 -29.44 69.63 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 37' ' ' ASN . . . . . 0.697 ' O ' ' N ' ' X' ' 39' ' ' VAL . 0.1 OUTLIER -112.21 52.21 0.78 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 179.005 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' X' X ' 38' ' ' GLY . . . . . 0.567 ' C ' ' O ' ' X' ' 37' ' ' ASN . . . 2.92 58.45 0.0 OUTLIER Glycine 0 CA--C 1.527 0.826 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.555 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 39' ' ' VAL . . . . . 0.697 ' N ' ' O ' ' X' ' 37' ' ' ASN . 6.5 t -95.77 124.46 48.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -120.39 107.21 12.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.018 179.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . -158.35 -150.47 5.78 Favored Glycine 0 CA--C 1.517 0.208 0 N-CA-C 111.442 -0.663 . . . . 0.0 111.442 -179.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 42' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -102.59 141.24 35.73 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 43' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -115.52 148.65 39.26 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.843 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 2.0 t -139.29 160.3 40.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.256 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 45' ' ' TYR . . . . . 0.739 ' CD1' ' CZ ' ' X' ' 52' ' ' PHE . 6.2 t80 -147.06 132.57 18.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.999 0.428 . . . . 0.0 110.857 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 46' ' ' ASP . . . . . 0.468 ' N ' ' CD1' ' X' ' 45' ' ' TYR . 37.3 m-20 -122.87 119.81 31.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.287 179.692 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.9 -27.75 60.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.613 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.12 -31.02 62.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.421 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 49' ' ' THR . . . . . 0.455 ' OG1' ' CB ' ' X' ' 46' ' ' ASP . 13.2 p -109.31 -2.8 17.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.778 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 50' ' ' LYS . . . . . 0.517 ' CD ' ' H3 ' ' X' ' 1' ' ' MET . 0.6 OUTLIER 37.65 48.34 0.92 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.016 -179.838 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' X' X ' 51' ' ' THR . . . . . . . . . . . . . 4.8 m -129.06 146.49 51.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.661 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 52' ' ' PHE . . . . . 0.739 ' CZ ' ' CD1' ' X' ' 45' ' ' TYR . 21.0 m-85 -122.56 131.42 53.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.673 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 53' ' ' THR . . . . . . . . . . . . . 4.5 m -141.43 151.49 43.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.291 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 54' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -129.9 129.2 65.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.897 0.38 . . . . 0.0 110.278 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 55' ' ' THR . . . . . . . . . . . . . 6.1 m -125.08 131.66 53.28 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.199 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.955 -1.021 . . . . 0.0 110.608 -179.845 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' X' X ' 1' ' ' MET . . . . . 0.696 ' O ' ' CZ ' ' X' ' 3' ' ' TYR . 2.4 ptp . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 2' ' ' GLN . . . . . 0.748 ' NE2' ' H ' ' X' ' 2' ' ' GLN . 0.0 OUTLIER -92.04 127.59 37.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.995 0.426 . . . . 0.0 110.774 -179.754 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' X' X ' 3' ' ' TYR . . . . . 0.707 ' CD1' ' N ' ' X' ' 3' ' ' TYR . 0.0 OUTLIER -125.55 151.84 45.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.264 179.844 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 10.5 ptpp? -118.35 141.53 48.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.136 0.493 . . . . 0.0 110.498 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 5' ' ' LEU . . . . . 0.482 ' CD1' ' C ' ' X' ' 5' ' ' LEU . 2.2 tm? -118.11 108.97 15.84 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.074 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 6' ' ' ILE . . . . . 0.445 ' N ' HD23 ' X' ' 5' ' ' LEU . 0.0 OUTLIER -116.17 133.62 62.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.085 179.901 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' X' X ' 7' ' ' LEU . . . . . 0.402 HD13 ' CD1' ' X' ' 33' ' ' TYR . 17.3 mt -110.14 130.73 55.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.842 0.353 . . . . 0.0 110.081 179.518 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -125.12 -163.97 1.24 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.376 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . 134.3 -160.24 24.09 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -61.77 -81.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.977 0.417 . . . . 0.0 110.666 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 11' ' ' THR . . . . . . . . . . . . . 3.6 t -110.55 18.5 19.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.078 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 tp -112.38 112.38 23.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.776 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -134.87 139.7 45.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.597 179.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -162.0 145.8 11.24 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 15' ' ' GLU . . . . . 0.638 ' OE1' ' N ' ' X' ' 15' ' ' GLU . 0.0 OUTLIER -132.78 134.98 45.4 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 178.896 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -141.3 159.64 41.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.22 0.533 . . . . 0.0 111.675 -178.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.09 132.36 20.57 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.319 179.016 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.41 152.39 40.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.819 -179.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -118.84 126.86 52.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.133 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 20' ' ' ALA . . . . . . . . . . . . . . . -137.07 177.48 7.83 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.193 0.52 . . . . 0.0 111.224 -179.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 21' ' ' VAL . . . . . . . . . . . . . 6.5 t -72.41 -37.24 57.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.571 179.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 22' ' ' ASP . . . . . 0.548 ' OD1' ' N ' ' X' ' 24' ' ' ALA . 2.3 p30 -154.71 171.28 19.8 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.077 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 23' ' ' ALA . . . . . 0.405 ' HA ' ' CE2' ' X' ' 3' ' ' TYR . . . -72.44 -30.52 64.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.653 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 24' ' ' ALA . . . . . 0.548 ' N ' ' OD1' ' X' ' 22' ' ' ASP . . . -56.74 -36.49 69.82 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 25' ' ' THR . . . . . 0.454 ' HG1' ' H ' ' X' ' 26' ' ' ALA . 41.2 p -76.59 -46.31 26.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.316 179.196 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 26' ' ' ALA . . . . . 0.454 ' H ' ' HG1' ' X' ' 25' ' ' THR . . . -67.44 -37.79 83.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.879 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 27' ' ' GLU . . . . . 0.511 ' O ' ' CG ' ' X' ' 31' ' ' LYS . 16.0 tt0 -54.92 -42.71 72.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.281 -179.078 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -66.31 -45.49 80.17 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.525 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 25.2 t -69.73 -39.87 78.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.319 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 30' ' ' PHE . . . . . 0.426 ' CD2' ' HB2' ' X' ' 5' ' ' LEU . 3.9 m-30 -62.05 -44.45 96.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.769 -179.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 31' ' ' LYS . . . . . 0.511 ' CG ' ' O ' ' X' ' 27' ' ' GLU . 18.6 mmtt -58.18 -29.65 65.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.721 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 32' ' ' GLN . . . . . 0.587 ' O ' ' N ' ' X' ' 36' ' ' ASP . 41.3 tp60 -62.52 -32.14 73.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.85 179.14 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 33' ' ' TYR . . . . . 0.402 ' CD1' HD13 ' X' ' 7' ' ' LEU . 1.3 t80 -60.04 -47.24 86.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.04 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.19 -47.13 71.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.713 179.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -65.78 -42.88 90.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.806 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 36' ' ' ASP . . . . . 0.587 ' N ' ' O ' ' X' ' 32' ' ' GLN . 12.0 t70 -63.02 -27.96 69.77 Favored 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 179.225 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 37' ' ' ASN . . . . . 0.686 ' O ' ' N ' ' X' ' 39' ' ' VAL . 24.4 m120 -119.47 52.82 1.07 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.127 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 38' ' ' GLY . . . . . 0.597 ' C ' ' O ' ' X' ' 37' ' ' ASN . . . 1.52 62.69 0.0 OUTLIER Glycine 0 CA--C 1.523 0.589 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.97 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 39' ' ' VAL . . . . . 0.686 ' N ' ' O ' ' X' ' 37' ' ' ASN . 55.1 t -94.67 127.88 46.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.831 0.348 . . . . 0.0 110.687 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -121.79 107.6 12.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.125 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . -157.07 -152.0 6.18 Favored Glycine 0 CA--C 1.519 0.285 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 42' ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -102.38 136.51 42.09 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 179.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 43' ' ' TRP . . . . . 0.451 ' CE2' HG21 ' X' ' 54' ' ' VAL . 0.7 OUTLIER -112.62 142.04 45.68 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.626 -179.882 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.68 151.26 51.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.353 179.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 45' ' ' TYR . . . . . 0.658 ' CD1' ' CE1' ' X' ' 52' ' ' PHE . 5.6 t80 -142.84 123.95 14.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.287 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.58 133.14 56.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.272 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -77.49 -32.89 54.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.981 0.419 . . . . 0.0 110.618 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.71 -32.31 60.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.28 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 49' ' ' THR . . . . . 0.545 ' O ' ' C ' ' X' ' 50' ' ' LYS . 0.2 OUTLIER -104.37 -2.08 25.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.427 179.895 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' X' X ' 50' ' ' LYS . . . . . 0.562 ' O ' ' CG ' ' X' ' 50' ' ' LYS . 0.2 OUTLIER 26.12 49.8 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.621 -179.734 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' X' X ' 51' ' ' THR . . . . . 0.422 ' N ' ' O ' ' X' ' 49' ' ' THR . 2.6 m -125.45 143.56 50.93 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.58 -179.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 52' ' ' PHE . . . . . 0.658 ' CE1' ' CD1' ' X' ' 45' ' ' TYR . 19.0 m-85 -117.39 132.66 56.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.403 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 53' ' ' THR . . . . . 0.444 ' CG2' ' N ' ' X' ' 54' ' ' VAL . 1.3 m -142.28 154.28 44.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.479 -179.596 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 54' ' ' VAL . . . . . 0.451 HG21 ' CE2' ' X' ' 43' ' ' TRP . 0.1 OUTLIER -129.45 124.58 60.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.133 179.505 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' X' X ' 55' ' ' THR . . . . . . . . . . . . . 2.3 m -125.78 128.47 47.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.247 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.524 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 1' ' ' MET . . . . . 0.716 ' N ' ' HZ3' ' X' ' 50' ' ' LYS . 13.0 ptm . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 2' ' ' GLN . . . . . 0.776 ' NE2' ' H ' ' X' ' 2' ' ' GLN . 0.0 OUTLIER -91.73 124.41 35.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.124 0.488 . . . . 0.0 110.867 -179.614 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' X' X ' 3' ' ' TYR . . . . . 0.693 ' CZ ' ' O ' ' X' ' 1' ' ' MET . 0.0 OUTLIER -117.8 147.03 43.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.923 179.576 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -118.65 143.11 47.04 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.351 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 13.4 tp -113.85 130.23 56.5 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.417 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 6' ' ' ILE . . . . . . . . . . . . . 1.7 mp -116.7 134.46 60.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.42 179.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 7' ' ' LEU . . . . . 0.662 ' CD2' ' N ' ' X' ' 7' ' ' LEU . 1.4 mm? -111.08 128.9 56.02 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.335 179.366 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 8' ' ' ASN . . . . . 0.502 ' C ' ' O ' ' X' ' 12' ' ' LEU . 16.3 m-20 -133.77 -163.27 1.34 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.354 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.94 -168.96 23.09 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.841 -0.903 . . . . 0.0 110.841 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.23 -57.08 4.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.769 0.319 . . . . 0.0 110.803 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -122.51 22.64 9.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.593 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 12' ' ' LEU . . . . . 0.502 ' O ' ' C ' ' X' ' 8' ' ' ASN . 6.6 tp -133.18 112.21 11.54 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.749 -0.381 . . . . 0.0 111.52 -179.306 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 17.2 ttpt -140.51 138.85 34.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.411 178.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -163.27 169.74 38.47 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.306 -1.118 . . . . 0.0 110.306 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -139.64 136.96 34.85 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 179.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 16' ' ' THR . . . . . 0.516 ' CG2' ' N ' ' X' ' 17' ' ' THR . 1.6 m -138.94 158.14 44.75 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.803 -179.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 17' ' ' THR . . . . . 0.516 ' N ' ' CG2' ' X' ' 16' ' ' THR . 3.0 t -139.96 135.74 33.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.648 179.238 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -143.93 150.94 39.14 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.222 0.534 . . . . 0.0 111.12 -179.448 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -125.17 129.74 50.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.846 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.71 177.88 7.56 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.312 0.577 . . . . 0.0 111.346 -179.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 21' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -70.62 -38.6 73.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.511 178.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 22' ' ' ASP . . . . . 0.562 ' C ' ' OH ' ' X' ' 3' ' ' TYR . 4.4 p30 -155.87 172.74 17.84 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.072 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.82 -30.91 64.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.505 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.32 -36.15 68.38 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 25' ' ' THR . . . . . 0.508 ' N ' ' OD1' ' X' ' 22' ' ' ASP . 12.0 p -77.82 -42.89 32.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.091 178.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 26' ' ' ALA . . . . . 0.664 ' O ' ' CD2' ' X' ' 30' ' ' PHE . . . -64.31 -39.18 93.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.062 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 27' ' ' GLU . . . . . 0.653 ' O ' ' CG ' ' X' ' 31' ' ' LYS . 5.3 pt-20 -55.06 -45.2 75.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.763 0.316 . . . . 0.0 110.575 -179.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 28' ' ' LYS . . . . . 0.567 ' N ' ' CG ' ' X' ' 27' ' ' GLU . 0.2 OUTLIER -73.39 -38.85 65.49 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.954 179.826 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 93.9 t -71.17 -54.86 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -178.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 30' ' ' PHE . . . . . 0.664 ' CD2' ' O ' ' X' ' 26' ' ' ALA . 3.9 p90 -74.8 -29.98 61.27 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 119.843 -0.743 . . . . 0.0 112.485 -178.05 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 31' ' ' LYS . . . . . 0.653 ' CG ' ' O ' ' X' ' 27' ' ' GLU . 18.4 mmtp -55.61 -29.33 58.95 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 119.723 -0.791 . . . . 0.0 109.129 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -64.73 -30.82 71.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.771 179.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 33' ' ' TYR . . . . . 0.573 ' C ' ' CD1' ' X' ' 33' ' ' TYR . 4.3 t80 -57.89 -44.66 86.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.339 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.33 -45.92 68.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 109.927 179.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 35' ' ' ASN . . . . . 0.428 ' N ' ' OD1' ' X' ' 35' ' ' ASN . 1.3 m-20 -62.41 -42.44 99.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.95 179.459 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -65.8 -30.15 70.74 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 37' ' ' ASN . . . . . 0.677 ' O ' ' N ' ' X' ' 39' ' ' VAL . 1.2 t-20 -112.41 52.92 0.75 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 179.093 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 38' ' ' GLY . . . . . 0.587 ' C ' ' O ' ' X' ' 37' ' ' ASN . . . 3.74 60.77 0.0 OUTLIER Glycine 0 CA--C 1.524 0.615 0 CA-C-N 115.65 -0.704 . . . . 0.0 112.049 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 39' ' ' VAL . . . . . 0.677 ' N ' ' O ' ' X' ' 37' ' ' ASN . 52.3 t -94.89 109.64 22.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.708 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -109.87 108.45 18.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.045 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . -156.35 -151.11 5.84 Favored Glycine 0 CA--C 1.519 0.308 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 42' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -101.68 133.04 47.01 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 43' ' ' TRP . . . . . 0.505 ' HE1' ' HB3' ' X' ' 52' ' ' PHE . 0.6 OUTLIER -114.09 144.05 43.77 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.847 -179.751 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 3.2 p -133.99 153.76 51.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.179 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 45' ' ' TYR . . . . . 0.775 ' CD1' ' CE2' ' X' ' 52' ' ' PHE . 2.9 t80 -144.16 125.02 14.25 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.556 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 46' ' ' ASP . . . . . 0.418 ' N ' ' CD1' ' X' ' 45' ' ' TYR . 6.2 t0 -117.61 132.81 56.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.218 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.71 -32.59 53.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.913 0.387 . . . . 0.0 110.567 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.53 -32.58 58.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.418 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 49' ' ' THR . . . . . 0.538 ' O ' ' C ' ' X' ' 50' ' ' LYS . 0.3 OUTLIER -102.89 -1.9 28.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.331 179.73 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' X' X ' 50' ' ' LYS . . . . . 0.716 ' HZ3' ' N ' ' X' ' 1' ' ' MET . 5.1 ptmt 26.65 46.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.65 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 51' ' ' THR . . . . . 0.466 ' N ' ' O ' ' X' ' 49' ' ' THR . 2.5 m -125.76 137.72 53.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.46 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 52' ' ' PHE . . . . . 0.775 ' CE2' ' CD1' ' X' ' 45' ' ' TYR . 34.2 m-85 -119.44 132.43 55.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.712 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 53' ' ' THR . . . . . 0.44 ' CG2' ' N ' ' X' ' 54' ' ' VAL . 1.4 m -142.4 154.51 44.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.452 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 54' ' ' VAL . . . . . 0.44 ' N ' ' CG2' ' X' ' 53' ' ' THR . 5.2 p -130.3 127.15 62.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.896 0.379 . . . . 0.0 110.665 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 55' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -125.73 134.67 51.7 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.675 179.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.669 0 CA-C-O 118.003 -0.999 . . . . 0.0 110.607 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 1' ' ' MET . . . . . 0.691 ' O ' ' CZ ' ' X' ' 3' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 2' ' ' GLN . . . . . 0.679 ' CD ' ' H ' ' X' ' 2' ' ' GLN . 2.2 pm0 -91.82 136.98 32.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.459 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 3' ' ' TYR . . . . . 0.764 ' CD1' ' N ' ' X' ' 3' ' ' TYR . 0.0 OUTLIER -124.88 151.41 45.36 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.169 179.76 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' X' X ' 4' ' ' LYS . . . . . 0.529 ' H ' HG23 ' X' ' 51' ' ' THR . 32.5 tttm -118.21 142.24 47.67 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.357 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 5' ' ' LEU . . . . . 0.658 HD22 ' CD2' ' X' ' 7' ' ' LEU . 0.5 OUTLIER -113.73 121.69 44.85 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.129 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' X' X ' 6' ' ' ILE . . . . . 0.576 ' C ' HD22 ' X' ' 7' ' ' LEU . 2.0 mm -115.51 132.2 65.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.547 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 7' ' ' LEU . . . . . 0.658 ' CD2' HD22 ' X' ' 5' ' ' LEU . 4.4 mm? -113.68 127.73 56.15 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.847 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 8' ' ' ASN . . . . . 0.43 ' O ' ' O ' ' X' ' 12' ' ' LEU . 84.2 m-20 -128.21 -164.66 1.4 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.135 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.8 -165.82 24.12 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.846 -0.901 . . . . 0.0 110.846 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 10' ' ' LYS . . . . . 0.456 ' N ' ' HD3' ' X' ' 10' ' ' LYS . 10.7 mmtp -74.04 -61.07 1.98 Allowed 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.323 0.582 . . . . 0.0 110.36 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.14 18.44 10.78 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.711 -179.238 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 12' ' ' LEU . . . . . 0.612 HD13 ' C ' ' X' ' 12' ' ' LEU . 0.5 OUTLIER -125.37 105.78 9.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.846 -179.803 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' X' X ' 13' ' ' LYS . . . . . 0.585 ' N ' HD13 ' X' ' 12' ' ' LEU . 3.0 ttpm? -131.88 139.26 48.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.125 178.797 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 14' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' X' ' 7' ' ' LEU . . . -163.1 152.65 22.85 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.674 -0.97 . . . . 0.0 110.674 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -129.32 138.42 51.57 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 16' ' ' THR . . . . . 0.625 HG21 ' CE2' ' X' ' 33' ' ' TYR . 0.2 OUTLIER -135.98 162.12 33.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.295 0.569 . . . . 0.0 111.831 -178.933 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -143.12 129.54 20.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.377 178.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 1.9 m -144.29 151.93 40.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.971 0.415 . . . . 0.0 110.887 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -124.25 135.55 53.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.481 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 20' ' ' ALA . . . . . 0.538 ' O ' ' SD ' ' X' ' 1' ' ' MET . . . -148.91 176.9 10.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 21' ' ' VAL . . . . . . . . . . . . . 23.0 t -71.43 -38.54 69.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.55 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 22' ' ' ASP . . . . . 0.746 ' OD1' ' HB3' ' X' ' 24' ' ' ALA . 3.3 p30 -154.95 169.98 22.79 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.952 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 23' ' ' ALA . . . . . 0.551 ' O ' ' N ' ' X' ' 27' ' ' GLU . . . -72.15 -29.1 63.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.638 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 24' ' ' ALA . . . . . 0.746 ' HB3' ' OD1' ' X' ' 22' ' ' ASP . . . -55.66 -37.9 68.88 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 25' ' ' THR . . . . . . . . . . . . . 15.3 p -76.64 -44.86 32.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.806 178.708 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.21 -36.49 83.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.43 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 27' ' ' GLU . . . . . 0.551 ' N ' ' O ' ' X' ' 23' ' ' ALA . 19.7 tt0 -53.92 -45.71 71.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.286 -178.626 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 9.2 mmtp -64.62 -47.09 79.84 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.84 -179.225 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 29' ' ' VAL . . . . . 0.401 ' O ' ' HB3' ' X' ' 32' ' ' GLN . 0.6 OUTLIER -70.26 -36.23 66.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.774 179.418 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' X' X ' 30' ' ' PHE . . . . . 0.475 ' CD2' ' HB2' ' X' ' 52' ' ' PHE . 1.9 m-85 -58.95 -45.03 91.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.534 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 31' ' ' LYS . . . . . 0.536 ' NZ ' ' CG ' ' X' ' 27' ' ' GLU . 3.5 mmtp -58.31 -30.04 66.36 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.816 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 32' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' X' ' 36' ' ' ASP . 21.4 tt0 -68.1 -31.23 70.69 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.334 179.318 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 33' ' ' TYR . . . . . 0.625 ' CE2' HG21 ' X' ' 16' ' ' THR . 23.7 t80 -58.74 -46.09 88.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.038 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.45 -44.54 78.4 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 39.4 t-20 -65.92 -41.64 91.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.996 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 36' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' X' ' 32' ' ' GLN . 15.7 m-20 -65.13 -30.59 71.53 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 37' ' ' ASN . . . . . 0.914 ' O ' HG23 ' X' ' 39' ' ' VAL . 2.3 m-20 -113.56 53.1 0.78 Allowed 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.374 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 38' ' ' GLY . . . . . 0.58 ' C ' ' O ' ' X' ' 37' ' ' ASN . . . 3.07 59.32 0.0 OUTLIER Glycine 0 CA--C 1.524 0.63 0 CA-C-N 115.769 -0.651 . . . . 0.0 112.353 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 39' ' ' VAL . . . . . 0.914 HG23 ' O ' ' X' ' 37' ' ' ASN . 25.0 t -97.43 132.47 42.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.922 0.392 . . . . 0.0 110.827 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 40' ' ' ASP . . . . . 0.49 ' CG ' ' O ' ' X' ' 40' ' ' ASP . 9.8 p-10 -126.09 107.0 9.99 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.21 179.228 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . -157.38 -152.83 6.47 Favored Glycine 0 CA--C 1.517 0.209 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 42' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -102.76 142.46 33.87 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 43' ' ' TRP . . . . . 0.468 ' CE3' HG13 ' X' ' 54' ' ' VAL . 0.6 OUTLIER -112.88 142.63 45.32 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.755 -179.602 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -128.38 149.58 50.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.374 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 45' ' ' TYR . . . . . 0.738 ' CD1' ' CZ ' ' X' ' 52' ' ' PHE . 21.2 t80 -137.54 122.14 18.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.463 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -117.7 128.26 54.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.35 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -77.11 -31.98 56.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.98 0.419 . . . . 0.0 110.538 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.92 -32.29 59.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.418 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 49' ' ' THR . . . . . 0.539 ' O ' ' C ' ' X' ' 50' ' ' LYS . 0.3 OUTLIER -103.67 -2.09 27.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.33 179.848 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' X' X ' 50' ' ' LYS . . . . . 0.554 ' O ' ' CG ' ' X' ' 50' ' ' LYS . 0.0 OUTLIER 26.85 46.27 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.605 -179.655 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' X' X ' 51' ' ' THR . . . . . 0.529 HG23 ' H ' ' X' ' 4' ' ' LYS . 99.4 m -124.93 143.81 50.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.522 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 52' ' ' PHE . . . . . 0.738 ' CZ ' ' CD1' ' X' ' 45' ' ' TYR . 30.2 m-85 -115.85 132.68 56.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.354 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 53' ' ' THR . . . . . 0.409 HG22 ' N ' ' X' ' 54' ' ' VAL . 16.7 m -141.44 154.51 45.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.348 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 54' ' ' VAL . . . . . 0.468 HG13 ' CE3' ' X' ' 43' ' ' TRP . 0.1 OUTLIER -126.28 124.87 66.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 179.48 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' X' X ' 55' ' ' THR . . . . . . . . . . . . . 2.2 m -125.58 129.65 50.09 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.202 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.573 -179.903 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' X' X ' 1' ' ' MET . . . . . 0.68 ' O ' ' CZ ' ' X' ' 3' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 2' ' ' GLN . . . . . . . . . . . . . 9.8 tm0? -92.47 118.29 30.81 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.127 -0.629 . . . . 0.0 111.435 -179.435 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 3' ' ' TYR . . . . . 0.68 ' CZ ' ' O ' ' X' ' 1' ' ' MET . 0.0 OUTLIER -128.7 142.55 50.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.65 179.608 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' X' X ' 4' ' ' LYS . . . . . 0.544 ' O ' ' O ' ' X' ' 52' ' ' PHE . 14.4 ttpt -118.99 139.74 51.17 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.973 179.46 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 5' ' ' LEU . . . . . 0.817 HD13 ' C ' ' X' ' 5' ' ' LEU . 3.1 tm? -117.54 112.78 21.04 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.188 0.518 . . . . 0.0 110.278 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 6' ' ' ILE . . . . . 0.428 HD11 ' CE ' ' X' ' 4' ' ' LYS . 10.1 mt -116.58 135.5 56.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.981 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 7' ' ' LEU . . . . . 0.725 HD23 HD11 ' X' ' 5' ' ' LEU . 0.8 OUTLIER -112.23 130.08 56.05 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.35 179.188 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' X' X ' 8' ' ' ASN . . . . . 0.494 ' C ' ' O ' ' X' ' 12' ' ' LEU . 2.1 t-20 -129.16 -164.08 1.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.48 -179.642 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.61 -166.86 23.76 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 10' ' ' LYS . . . . . 0.441 ' N ' ' HD3' ' X' ' 10' ' ' LYS . 4.3 mmtt -74.01 -62.46 1.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.788 0.328 . . . . 0.0 110.367 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 11' ' ' THR . . . . . 0.435 ' O ' ' OG1' ' X' ' 11' ' ' THR . 0.6 OUTLIER -117.75 21.37 12.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.318 179.722 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' X' X ' 12' ' ' LEU . . . . . 0.562 ' CD1' ' C ' ' X' ' 12' ' ' LEU . 0.2 OUTLIER -128.69 106.16 8.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.677 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' X' X ' 13' ' ' LYS . . . . . 0.528 ' N ' HD13 ' X' ' 12' ' ' LEU . 19.9 ttpt -131.92 139.22 48.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.041 0.448 . . . . 0.0 110.126 179.061 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 14' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' X' ' 7' ' ' LEU . . . -160.39 146.33 12.41 Favored Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -131.06 134.28 46.48 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.087 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 2.6 m -141.81 162.47 35.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.067 0.461 . . . . 0.0 111.3 -178.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 17' ' ' THR . . . . . 0.461 ' O ' HG23 ' X' ' 17' ' ' THR . 12.6 t -141.8 129.95 22.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.387 178.752 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -141.16 152.03 44.34 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.041 0.448 . . . . 0.0 110.662 -179.274 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -127.08 129.01 47.17 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.349 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.96 174.58 10.47 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.903 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 21' ' ' VAL . . . . . 0.406 HG13 ' N ' ' X' ' 22' ' ' ASP . 7.3 p -70.95 -33.62 52.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.737 178.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 22' ' ' ASP . . . . . 0.536 ' C ' ' OH ' ' X' ' 3' ' ' TYR . 2.4 p30 -154.64 170.46 21.47 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.118 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 23' ' ' ALA . . . . . 0.434 ' HA ' ' CE2' ' X' ' 3' ' ' TYR . . . -73.58 -32.08 63.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.169 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 24' ' ' ALA . . . . . 0.423 ' N ' ' OD1' ' X' ' 22' ' ' ASP . . . -56.07 -37.45 69.33 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 25' ' ' THR . . . . . 0.417 ' N ' ' OD1' ' X' ' 22' ' ' ASP . 0.7 OUTLIER -76.53 -46.2 27.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.12 179.239 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' X' X ' 26' ' ' ALA . . . . . 0.512 ' O ' ' CD2' ' X' ' 30' ' ' PHE . . . -59.6 -35.68 74.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.522 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 27' ' ' GLU . . . . . 0.635 ' O ' ' CG ' ' X' ' 31' ' ' LYS . 27.2 tt0 -53.67 -44.33 69.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.217 -179.311 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 10.6 mmtt -72.32 -38.86 68.56 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.373 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 59.3 t -71.46 -54.98 15.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -177.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 30' ' ' PHE . . . . . 0.541 ' CE2' ' HA ' ' X' ' 27' ' ' GLU . 2.5 p90 -74.71 -29.47 61.2 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 119.891 -0.724 . . . . 0.0 112.547 -178.041 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 31' ' ' LYS . . . . . 0.635 ' CG ' ' O ' ' X' ' 27' ' ' GLU . 45.3 mmtt -55.27 -30.46 60.16 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 119.766 -0.774 . . . . 0.0 108.931 179.537 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 32' ' ' GLN . . . . . 0.417 ' O ' ' N ' ' X' ' 36' ' ' ASP . 17.7 tt0 -61.29 -28.91 69.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.35 179.188 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -57.08 -46.19 82.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.67 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 34' ' ' ALA . . . . . 0.536 ' HB2' ' CH2' ' X' ' 43' ' ' TRP . . . -64.84 -47.97 76.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.01 0.434 . . . . 0.0 109.884 179.495 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -63.8 -38.1 89.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.965 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 36' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' X' ' 32' ' ' GLN . 17.7 t70 -62.55 -28.69 70.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.525 179.361 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 37' ' ' ASN . . . . . 1.014 ' O ' HG23 ' X' ' 39' ' ' VAL . 31.7 m120 -118.25 53.02 0.98 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.209 -0.905 . . . . 0.0 108.59 179.354 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 38' ' ' GLY . . . . . 0.581 ' C ' ' O ' ' X' ' 37' ' ' ASN . . . 0.98 60.97 0.0 OUTLIER Glycine 0 CA--C 1.523 0.594 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.242 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 39' ' ' VAL . . . . . 1.014 HG23 ' O ' ' X' ' 37' ' ' ASN . 47.4 t -98.15 138.15 23.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.943 0.401 . . . . 0.0 110.864 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -126.17 108.11 11.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.292 179.203 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . -155.44 -154.54 6.97 Favored Glycine 0 CA--C 1.518 0.242 0 N-CA-C 111.261 -0.735 . . . . 0.0 111.261 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 42' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -102.83 137.46 41.02 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 43' ' ' TRP . . . . . 0.665 ' CE2' HG22 ' X' ' 54' ' ' VAL . 0.5 OUTLIER -113.18 144.75 42.14 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.301 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.64 147.73 52.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.486 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 45' ' ' TYR . . . . . 0.731 ' CD1' ' CZ ' ' X' ' 52' ' ' PHE . 3.9 t80 -135.03 121.63 20.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.22 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -115.99 129.36 56.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.589 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 47' ' ' ASP . . . . . 0.574 ' OD1' ' N ' ' X' ' 48' ' ' ALA . 45.2 p-10 -76.74 -30.28 56.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.738 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 48' ' ' ALA . . . . . 0.574 ' N ' ' OD1' ' X' ' 47' ' ' ASP . . . -72.37 -31.79 65.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.779 -179.517 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 49' ' ' THR . . . . . 0.479 ' O ' ' C ' ' X' ' 50' ' ' LYS . 0.2 OUTLIER -110.51 -3.31 16.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.773 -179.901 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' X' X ' 50' ' ' LYS . . . . . 0.479 ' C ' ' O ' ' X' ' 49' ' ' THR . 1.8 ptpt 34.69 44.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.45 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 51' ' ' THR . . . . . . . . . . . . . 3.0 m -126.52 139.26 53.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.689 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 52' ' ' PHE . . . . . 0.731 ' CZ ' ' CD1' ' X' ' 45' ' ' TYR . 4.4 m-85 -120.2 132.07 55.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.388 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 53' ' ' THR . . . . . 0.504 ' CG2' ' N ' ' X' ' 54' ' ' VAL . 1.4 m -144.45 159.06 43.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.032 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 54' ' ' VAL . . . . . 0.665 HG22 ' CE2' ' X' ' 43' ' ' TRP . 0.9 OUTLIER -128.2 125.8 64.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.735 179.83 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' X' X ' 55' ' ' THR . . . . . . . . . . . . . 3.0 m -125.82 129.84 50.2 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.06 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.616 -179.908 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' X' X ' 1' ' ' MET . . . . . 0.706 ' O ' ' CE1' ' X' ' 3' ' ' TYR . 1.2 ptt? . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 2' ' ' GLN . . . . . 0.712 ' CD ' ' H ' ' X' ' 2' ' ' GLN . 0.0 OUTLIER -91.82 129.98 37.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.968 0.413 . . . . 0.0 110.818 -179.761 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' X' X ' 3' ' ' TYR . . . . . 0.706 ' CE1' ' O ' ' X' ' 1' ' ' MET . 0.0 OUTLIER -123.35 151.21 42.73 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.955 179.32 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' X' X ' 4' ' ' LYS . . . . . 0.485 ' O ' ' O ' ' X' ' 52' ' ' PHE . 15.0 mmtp -118.22 143.18 46.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.259 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 5' ' ' LEU . . . . . 0.759 HD13 ' C ' ' X' ' 5' ' ' LEU . 3.1 tm? -117.46 114.61 23.75 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.468 -179.626 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 6' ' ' ILE . . . . . 0.518 ' H ' HG22 ' X' ' 53' ' ' THR . 8.1 mm -116.55 132.41 66.29 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.232 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.041 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 7' ' ' LEU . . . . . 0.744 HD23 HD11 ' X' ' 5' ' ' LEU . 0.8 OUTLIER -114.01 129.68 56.59 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.419 179.38 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' X' X ' 8' ' ' ASN . . . . . 0.513 ' O ' ' O ' ' X' ' 12' ' ' LEU . 21.7 m120 -126.72 -164.91 1.39 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.422 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.24 -169.15 22.76 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 10' ' ' LYS . . . . . 0.456 ' N ' ' HD3' ' X' ' 10' ' ' LYS . 14.1 mmtt -71.53 -57.78 4.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.906 0.384 . . . . 0.0 110.295 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -124.5 5.41 8.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.422 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 12' ' ' LEU . . . . . 0.651 HD13 ' C ' ' X' ' 12' ' ' LEU . 0.8 OUTLIER -107.89 105.86 15.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.739 -179.913 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' X' X ' 13' ' ' LYS . . . . . 0.594 ' N ' HD13 ' X' ' 12' ' ' LEU . 11.0 ttmt -133.69 139.7 46.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.997 179.134 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 14' ' ' GLY . . . . . 0.546 ' O ' ' N ' ' X' ' 7' ' ' LEU . . . -160.94 143.16 8.67 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -132.52 135.96 46.32 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.043 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 16' ' ' THR . . . . . 0.567 ' CG2' ' N ' ' X' ' 17' ' ' THR . 1.0 OUTLIER -142.25 164.23 30.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.945 0.402 . . . . 0.0 111.003 -178.927 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' X' X ' 17' ' ' THR . . . . . 0.567 ' N ' ' CG2' ' X' ' 16' ' ' THR . 0.1 OUTLIER -137.89 130.46 29.53 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.654 179.428 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 1.8 m -145.49 150.25 36.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.949 0.404 . . . . 0.0 110.895 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -124.17 132.51 53.63 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.01 179.353 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 20' ' ' ALA . . . . . 0.402 ' HB3' ' CE1' ' X' ' 3' ' ' TYR . . . -139.64 176.56 8.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.14 0.495 . . . . 0.0 111.254 -179.4 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 21' ' ' VAL . . . . . 0.487 HG23 ' N ' ' X' ' 22' ' ' ASP . 29.3 m -71.44 -37.41 64.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.698 179.074 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 22' ' ' ASP . . . . . 0.543 ' C ' ' OH ' ' X' ' 3' ' ' TYR . 2.6 p30 -154.65 171.73 19.03 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.088 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.63 -29.9 63.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.443 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 24' ' ' ALA . . . . . 0.52 ' N ' ' OD1' ' X' ' 22' ' ' ASP . . . -55.85 -38.37 69.98 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 25' ' ' THR . . . . . 0.46 ' N ' ' OD1' ' X' ' 22' ' ' ASP . 1.6 p -77.58 -43.74 30.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.977 178.722 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 26' ' ' ALA . . . . . 0.473 ' O ' ' CD2' ' X' ' 30' ' ' PHE . . . -57.43 -34.64 69.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.491 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 27' ' ' GLU . . . . . 0.549 ' HA ' ' CE2' ' X' ' 30' ' ' PHE . 0.5 OUTLIER -52.45 -40.5 62.34 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.164 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' X' X ' 28' ' ' LYS . . . . . 0.498 ' N ' ' HG3' ' X' ' 27' ' ' GLU . 0.4 OUTLIER -72.25 -39.83 68.13 Favored 'General case' 0 C--N 1.317 -0.832 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.885 179.854 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 98.5 t -73.03 -56.16 10.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 113.507 0.929 . . . . 0.0 113.507 -178.343 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 30' ' ' PHE . . . . . 0.686 ' CD1' ' N ' ' X' ' 31' ' ' LYS . 3.7 p90 -75.09 -41.98 57.62 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 120.149 -0.62 . . . . 0.0 112.535 -177.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 31' ' ' LYS . . . . . 0.686 ' N ' ' CD1' ' X' ' 30' ' ' PHE . 1.8 tppp? -55.87 -29.14 59.45 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 119.733 -0.787 . . . . 0.0 109.168 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 32' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' X' ' 36' ' ' ASP . 18.9 tt0 -60.88 -30.02 69.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.243 178.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -57.94 -46.1 85.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.524 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.02 -47.16 75.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.019 0.438 . . . . 0.0 110.047 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -67.72 -39.9 84.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.48 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 36' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' X' ' 32' ' ' GLN . 44.8 t0 -66.79 -29.65 69.65 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.043 179.677 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 37' ' ' ASN . . . . . 0.716 ' O ' HG23 ' X' ' 39' ' ' VAL . 7.4 t-20 -110.63 54.07 0.68 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.286 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 38' ' ' GLY . . . . . 0.575 ' C ' ' O ' ' X' ' 37' ' ' ASN . . . 4.18 58.94 0.0 OUTLIER Glycine 0 CA--C 1.524 0.636 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.506 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 39' ' ' VAL . . . . . 0.716 HG23 ' O ' ' X' ' 37' ' ' ASN . 5.0 t -94.45 130.95 42.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.496 179.528 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -123.73 107.56 11.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.009 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . -160.47 -144.95 4.13 Favored Glycine 0 CA--C 1.517 0.193 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 42' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -101.54 139.54 37.06 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 178.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 43' ' ' TRP . . . . . 0.732 ' CE2' HG22 ' X' ' 54' ' ' VAL . 0.1 OUTLIER -109.85 139.54 44.81 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.949 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.87 166.77 20.16 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.711 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 45' ' ' TYR . . . . . 0.797 ' CD1' ' CE2' ' X' ' 52' ' ' PHE . 3.5 t80 -157.89 135.59 10.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.451 179.459 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 46' ' ' ASP . . . . . 0.588 ' N ' ' CD1' ' X' ' 45' ' ' TYR . 5.4 m-20 -121.55 118.88 30.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.544 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -77.07 -30.38 55.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.548 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.46 -33.34 42.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.735 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 49' ' ' THR . . . . . 0.483 ' C ' ' CG ' ' X' ' 50' ' ' LYS . 3.6 p -101.89 -0.26 34.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.703 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 50' ' ' LYS . . . . . 0.483 ' CG ' ' C ' ' X' ' 49' ' ' THR . 3.2 pttm 36.74 35.9 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.752 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 51' ' ' THR . . . . . . . . . . . . . 11.5 m -114.71 137.35 52.02 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.172 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 52' ' ' PHE . . . . . 0.797 ' CE2' ' CD1' ' X' ' 45' ' ' TYR . 81.3 m-85 -118.81 131.31 56.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.599 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 53' ' ' THR . . . . . 0.518 HG22 ' H ' ' X' ' 6' ' ' ILE . 39.9 p -146.91 159.78 43.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.673 -179.489 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 54' ' ' VAL . . . . . 0.732 HG22 ' CE2' ' X' ' 43' ' ' TRP . 1.7 t -127.06 128.32 70.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 179.345 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 55' ' ' THR . . . . . . . . . . . . . 2.8 m -125.24 129.26 49.7 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.385 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.451 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 1' ' ' MET . . . . . 0.748 ' N ' ' SD ' ' X' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 2' ' ' GLN . . . . . 0.666 ' OE1' ' N ' ' X' ' 1' ' ' MET . 0.0 OUTLIER -91.95 120.6 32.76 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.694 -179.705 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' X' X ' 3' ' ' TYR . . . . . 0.703 ' CZ ' ' O ' ' X' ' 1' ' ' MET . 0.0 OUTLIER -122.94 139.32 54.18 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.734 179.759 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' X' X ' 4' ' ' LYS . . . . . 0.416 ' H ' HG23 ' X' ' 51' ' ' THR . 25.1 tttt -118.14 140.01 50.41 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.039 179.565 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 5' ' ' LEU . . . . . 0.697 HD13 ' C ' ' X' ' 5' ' ' LEU . 2.8 tm? -114.75 111.7 21.67 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.085 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 6' ' ' ILE . . . . . 0.551 ' H ' HG22 ' X' ' 53' ' ' THR . 2.0 mm -115.6 130.5 70.12 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.292 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.819 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 7' ' ' LEU . . . . . 0.632 ' CD2' HG21 ' X' ' 39' ' ' VAL . 1.1 mp -113.78 130.56 56.43 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.485 179.32 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 8' ' ' ASN . . . . . 0.5 ' O ' ' O ' ' X' ' 12' ' ' LEU . 0.4 OUTLIER -124.82 -163.98 1.23 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.024 179.783 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . 134.38 -173.53 21.37 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.676 -0.969 . . . . 0.0 110.676 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 10' ' ' LYS . . . . . 0.464 ' HG2' ' H ' ' X' ' 11' ' ' THR . 0.0 OUTLIER -69.24 -56.13 8.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.842 0.354 . . . . 0.0 110.68 -179.843 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' X' X ' 11' ' ' THR . . . . . 0.464 ' H ' ' HG2' ' X' ' 10' ' ' LYS . 1.5 t -123.65 8.74 8.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.523 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 12' ' ' LEU . . . . . 0.524 HD13 ' C ' ' X' ' 12' ' ' LEU . 0.4 OUTLIER -115.53 106.03 13.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.076 -179.72 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' X' X ' 13' ' ' LYS . . . . . 0.512 ' N ' HD13 ' X' ' 12' ' ' LEU . 16.3 ttpp -130.76 139.34 50.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.627 178.516 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -159.58 147.37 14.54 Favored Glycine 0 CA--C 1.521 0.451 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -138.33 135.92 35.87 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 16' ' ' THR . . . . . 0.589 ' CG2' ' N ' ' X' ' 17' ' ' THR . 1.9 m -140.21 163.2 33.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.134 0.492 . . . . 0.0 111.248 -178.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 17' ' ' THR . . . . . 0.589 ' N ' ' CG2' ' X' ' 16' ' ' THR . 2.1 p -139.18 130.64 27.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.896 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 1.8 m -146.33 151.8 38.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.026 0.441 . . . . 0.0 111.069 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 19' ' ' GLU . . . . . 0.67 ' OE1' ' N ' ' X' ' 20' ' ' ALA . 0.4 OUTLIER -125.32 133.86 52.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.01 179.453 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' X' X ' 20' ' ' ALA . . . . . 0.67 ' N ' ' OE1' ' X' ' 19' ' ' GLU . . . -143.77 176.64 9.09 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.182 0.515 . . . . 0.0 111.219 -179.471 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 21' ' ' VAL . . . . . 0.47 HG13 ' N ' ' X' ' 22' ' ' ASP . 7.2 p -72.33 -36.98 57.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.1 179.352 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 22' ' ' ASP . . . . . 0.534 ' C ' ' OH ' ' X' ' 3' ' ' TYR . 2.4 p30 -152.88 170.82 19.41 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.291 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 23' ' ' ALA . . . . . 0.472 ' HA ' ' CE2' ' X' ' 3' ' ' TYR . . . -73.01 -30.01 63.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.723 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 24' ' ' ALA . . . . . 0.511 ' N ' ' OD1' ' X' ' 22' ' ' ASP . . . -55.63 -36.61 67.19 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 25' ' ' THR . . . . . 0.456 ' N ' ' OD1' ' X' ' 22' ' ' ASP . 0.1 OUTLIER -76.97 -44.62 30.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.114 178.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' X' X ' 26' ' ' ALA . . . . . 0.601 ' O ' ' CD2' ' X' ' 30' ' ' PHE . . . -61.09 -36.08 78.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.465 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 27' ' ' GLU . . . . . 0.555 ' O ' ' OE1' ' X' ' 27' ' ' GLU . 0.0 OUTLIER -53.96 -41.3 67.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.452 -179.626 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' X' X ' 28' ' ' LYS . . . . . 0.464 ' N ' ' HG3' ' X' ' 27' ' ' GLU . 0.0 OUTLIER -74.14 -40.88 62.32 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.351 -179.7 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 79.5 t -71.99 -55.26 14.02 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 N-CA-C 113.48 0.919 . . . . 0.0 113.48 -178.066 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 30' ' ' PHE . . . . . 0.601 ' CD2' ' O ' ' X' ' 26' ' ' ALA . 3.5 p90 -74.48 -31.71 62.3 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 120.046 -0.661 . . . . 0.0 112.631 -177.814 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 31' ' ' LYS . . . . . 0.543 ' NZ ' ' CE3' ' X' ' 43' ' ' TRP . 10.9 tppt? -55.97 -29.94 61.0 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 119.85 -0.74 . . . . 0.0 109.108 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -61.88 -29.51 70.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.744 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 33' ' ' TYR . . . . . 0.402 ' CE1' HD22 ' X' ' 7' ' ' LEU . 5.3 t80 -57.58 -46.56 83.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 -179.183 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.26 -47.14 77.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.946 0.403 . . . . 0.0 110.212 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 45.9 t-20 -64.21 -41.25 97.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.458 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -66.72 -30.45 70.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.129 0.49 . . . . 0.0 109.949 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 37' ' ' ASN . . . . . 0.971 ' O ' HG23 ' X' ' 39' ' ' VAL . 3.1 m120 -110.98 53.31 0.71 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 179.457 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 38' ' ' GLY . . . . . 0.586 ' C ' ' O ' ' X' ' 37' ' ' ASN . . . 3.9 59.27 0.0 OUTLIER Glycine 0 CA--C 1.524 0.599 0 CA-C-N 115.868 -0.605 . . . . 0.0 112.141 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 39' ' ' VAL . . . . . 0.971 HG23 ' O ' ' X' ' 37' ' ' ASN . 56.0 t -95.38 129.69 45.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.967 0.413 . . . . 0.0 110.717 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -125.26 107.36 10.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.124 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . -157.52 -151.74 6.12 Favored Glycine 0 CA--C 1.519 0.298 0 N-CA-C 111.089 -0.805 . . . . 0.0 111.089 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 42' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -102.37 138.08 39.78 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 179.011 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 43' ' ' TRP . . . . . 0.686 ' CE2' HG22 ' X' ' 54' ' ' VAL . 0.7 OUTLIER -113.0 141.44 46.84 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.577 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.36 155.53 45.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.956 179.341 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 45' ' ' TYR . . . . . 0.706 ' CD1' ' CE2' ' X' ' 52' ' ' PHE . 1.5 t80 -141.29 127.41 19.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.962 0.411 . . . . 0.0 110.911 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 46' ' ' ASP . . . . . 0.572 ' N ' ' CD1' ' X' ' 45' ' ' TYR . 1.4 m-20 -116.91 122.51 44.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.237 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 47' ' ' ASP . . . . . 0.605 ' OD1' ' N ' ' X' ' 48' ' ' ALA . 6.1 p30 -76.45 -28.67 56.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.829 -179.626 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 48' ' ' ALA . . . . . 0.605 ' N ' ' OD1' ' X' ' 47' ' ' ASP . . . -74.73 -32.32 62.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.786 -179.511 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 49' ' ' THR . . . . . . . . . . . . . 3.0 p -110.19 -3.93 16.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.699 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 50' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' X' ' 46' ' ' ASP . 0.0 OUTLIER 40.84 41.43 1.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.271 -179.784 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' X' X ' 51' ' ' THR . . . . . 0.416 HG23 ' H ' ' X' ' 4' ' ' LYS . 99.5 m -118.1 134.61 54.83 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.847 0.356 . . . . 0.0 111.074 -179.423 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 52' ' ' PHE . . . . . 0.706 ' CE2' ' CD1' ' X' ' 45' ' ' TYR . 38.7 m-85 -118.62 132.04 56.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.144 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 53' ' ' THR . . . . . 0.551 HG22 ' H ' ' X' ' 6' ' ' ILE . 57.2 p -143.41 155.79 44.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.541 -179.745 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 54' ' ' VAL . . . . . 0.686 HG22 ' CE2' ' X' ' 43' ' ' TRP . 0.6 OUTLIER -129.54 126.62 63.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.862 0.363 . . . . 0.0 110.438 179.653 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' X' X ' 55' ' ' THR . . . . . 0.494 HG23 ' CB ' ' X' ' 8' ' ' ASN . 2.9 m -125.36 131.32 53.0 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.069 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.621 -179.805 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' X' X ' 1' ' ' MET . . . . . 0.708 ' O ' ' CZ ' ' X' ' 3' ' ' TYR . 4.7 ptm . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 2' ' ' GLN . . . . . 0.635 ' NE2' ' O ' ' X' ' 2' ' ' GLN . 1.4 pm0 -92.7 131.77 37.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.801 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 3' ' ' TYR . . . . . 0.731 ' CD1' ' N ' ' X' ' 3' ' ' TYR . 0.0 OUTLIER -125.24 150.94 46.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.141 179.757 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' X' X ' 4' ' ' LYS . . . . . 0.437 ' O ' HG23 ' X' ' 51' ' ' THR . 20.5 ttpt -118.91 139.47 51.59 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.77 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 5' ' ' LEU . . . . . 0.803 HD13 ' C ' ' X' ' 5' ' ' LEU . 2.6 tm? -114.43 117.6 31.46 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.371 179.279 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 6' ' ' ILE . . . . . 0.503 ' O ' HG23 ' X' ' 53' ' ' THR . 2.0 mm -115.69 134.17 59.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 -179.597 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 7' ' ' LEU . . . . . 0.787 HD21 HD11 ' X' ' 5' ' ' LEU . 26.2 mt -113.02 122.15 46.75 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.446 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 8' ' ' ASN . . . . . 0.714 ' HB2' HG23 ' X' ' 55' ' ' THR . 5.4 m-20 -124.84 -164.51 1.28 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.773 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.88 178.03 15.33 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 10' ' ' LYS . . . . . 0.4 ' HG2' ' H ' ' X' ' 10' ' ' LYS . 7.2 pttp -67.86 -48.78 65.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.717 -0.242 . . . . 0.0 111.193 -179.545 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 11' ' ' THR . . . . . . . . . . . . . 64.0 p -123.61 12.89 9.32 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.1 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 12' ' ' LEU . . . . . 0.634 HD13 ' C ' ' X' ' 12' ' ' LEU . 0.6 OUTLIER -132.13 107.41 8.61 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.112 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' X' X ' 13' ' ' LYS . . . . . 0.627 ' N ' HD13 ' X' ' 12' ' ' LEU . 6.5 ttpm? -135.45 140.23 44.71 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.261 178.726 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -160.54 168.05 35.91 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -137.09 136.19 38.13 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 179.204 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 16' ' ' THR . . . . . 0.42 HG21 ' CE2' ' X' ' 33' ' ' TYR . 1.4 m -140.52 161.71 37.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.15 0.5 . . . . 0.0 111.673 -178.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 26.2 p -141.58 130.56 23.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.398 179.028 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -146.96 148.51 31.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.206 0.527 . . . . 0.0 111.733 -179.057 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.98 135.56 50.09 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.724 179.252 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 20' ' ' ALA . . . . . 0.594 ' HB3' ' CE1' ' X' ' 3' ' ' TYR . . . -144.75 176.46 9.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.286 0.565 . . . . 0.0 111.632 -179.572 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 21' ' ' VAL . . . . . . . . . . . . . 98.2 t -72.4 -38.8 61.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.932 179.297 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 22' ' ' ASP . . . . . 0.702 ' OD1' ' HB3' ' X' ' 24' ' ' ALA . 2.5 p30 -153.44 167.73 28.45 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.064 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 23' ' ' ALA . . . . . 0.578 ' O ' ' N ' ' X' ' 27' ' ' GLU . . . -70.35 -30.13 66.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.478 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 24' ' ' ALA . . . . . 0.702 ' HB3' ' OD1' ' X' ' 22' ' ' ASP . . . -56.64 -36.14 69.16 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 179.591 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 25' ' ' THR . . . . . 0.498 ' OG1' ' O ' ' X' ' 22' ' ' ASP . 3.3 p -76.84 -47.31 21.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.964 178.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 26' ' ' ALA . . . . . 0.419 ' O ' ' CD1' ' X' ' 30' ' ' PHE . . . -68.12 -38.1 81.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.442 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 27' ' ' GLU . . . . . 0.578 ' N ' ' O ' ' X' ' 23' ' ' ALA . 12.3 tt0 -54.99 -42.82 72.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 -179.426 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.56 -42.82 70.62 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.253 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 25.2 t -70.02 -39.47 77.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.695 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 30' ' ' PHE . . . . . 0.469 ' CE2' ' HB2' ' X' ' 5' ' ' LEU . 3.3 m-85 -62.51 -45.48 92.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.176 -179.334 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 31' ' ' LYS . . . . . 0.472 ' CG ' ' O ' ' X' ' 27' ' ' GLU . 13.9 mmtt -58.79 -30.75 67.82 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 32' ' ' GLN . . . . . 0.574 ' OE1' ' N ' ' X' ' 33' ' ' TYR . 0.4 OUTLIER -68.65 -32.1 71.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.987 179.329 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' X' X ' 33' ' ' TYR . . . . . 0.574 ' N ' ' OE1' ' X' ' 32' ' ' GLN . 2.1 t80 -59.3 -46.26 89.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.038 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 34' ' ' ALA . . . . . 0.463 ' HB2' ' CH2' ' X' ' 43' ' ' TRP . . . -67.71 -47.21 70.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.018 179.646 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -62.54 -43.22 99.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.724 179.415 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -65.72 -29.74 70.31 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.171 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 37' ' ' ASN . . . . . 0.925 ' O ' HG23 ' X' ' 39' ' ' VAL . 7.5 m-80 -113.5 52.98 0.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 179.16 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 38' ' ' GLY . . . . . 0.592 ' C ' ' O ' ' X' ' 37' ' ' ASN . . . 3.91 61.4 0.0 OUTLIER Glycine 0 CA--C 1.525 0.677 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.066 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 39' ' ' VAL . . . . . 0.925 HG23 ' O ' ' X' ' 37' ' ' ASN . 55.6 t -95.52 110.37 24.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.834 -0.347 . . . . 0.0 110.924 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -111.91 106.27 14.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.102 179.313 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . -158.62 -151.03 5.95 Favored Glycine 0 CA--C 1.519 0.289 0 N-CA-C 110.861 -0.895 . . . . 0.0 110.861 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 42' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -102.62 136.16 42.95 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 43' ' ' TRP . . . . . 0.587 ' CE2' HG22 ' X' ' 54' ' ' VAL . 0.6 OUTLIER -111.94 141.62 45.36 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.543 -179.907 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 6.6 t -126.53 151.19 48.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.367 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 45' ' ' TYR . . . . . 0.527 ' CE2' ' CE1' ' X' ' 52' ' ' PHE . 18.9 t80 -128.89 122.85 31.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.44 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 46' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' X' ' 50' ' ' LYS . 5.8 m-20 -120.17 118.6 30.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.454 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -76.32 -30.4 57.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.484 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.03 -32.4 61.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.6 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 49' ' ' THR . . . . . 0.465 ' O ' ' C ' ' X' ' 50' ' ' LYS . 0.2 OUTLIER -107.86 -3.34 19.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.408 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' X' X ' 50' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' X' ' 49' ' ' THR . 1.7 ptpp? 34.82 38.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.561 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 51' ' ' THR . . . . . 0.437 HG23 ' O ' ' X' ' 4' ' ' LYS . 7.0 m -120.91 137.6 54.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.607 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 52' ' ' PHE . . . . . 0.576 ' HB3' ' HE1' ' X' ' 43' ' ' TRP . 3.2 m-85 -119.63 133.18 55.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.541 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 53' ' ' THR . . . . . 0.503 HG23 ' O ' ' X' ' 6' ' ' ILE . 3.4 m -140.33 151.27 44.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.002 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 54' ' ' VAL . . . . . 0.587 HG22 ' CE2' ' X' ' 43' ' ' TRP . 0.0 OUTLIER -130.1 126.83 62.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.949 0.404 . . . . 0.0 110.811 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' X' X ' 55' ' ' THR . . . . . 0.714 HG23 ' HB2' ' X' ' 8' ' ' ASN . 11.2 m -126.1 133.31 51.69 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.15 179.643 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 56' ' ' GLU . . . . . 0.413 ' HG3' ' H ' ' X' ' 56' ' ' GLU . 3.9 mt-10 . . . . . 0 C--N 1.325 -0.499 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.505 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 1' ' ' MET . . . . . 0.719 ' N ' ' SD ' ' X' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 2' ' ' GLN . . . . . 0.736 ' CD ' ' H ' ' X' ' 2' ' ' GLN . 3.4 pm0 -91.78 136.5 33.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.462 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 3' ' ' TYR . . . . . 0.698 ' CZ ' ' O ' ' X' ' 1' ' ' MET . 0.0 OUTLIER -125.65 153.4 43.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.033 179.694 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' X' X ' 4' ' ' LYS . . . . . 0.473 ' O ' ' O ' ' X' ' 52' ' ' PHE . 9.2 ttpp -118.56 142.35 47.7 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.601 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 5' ' ' LEU . . . . . 0.465 HD22 ' CD1' ' X' ' 7' ' ' LEU . 0.2 OUTLIER -111.7 119.18 37.76 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.841 179.666 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' X' X ' 6' ' ' ILE . . . . . 0.534 ' C ' HD12 ' X' ' 7' ' ' LEU . 2.5 mm -115.46 129.68 71.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.652 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 7' ' ' LEU . . . . . 0.534 HD12 ' C ' ' X' ' 6' ' ' ILE . 6.6 mp -113.3 130.69 56.19 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.253 179.393 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 8' ' ' ASN . . . . . 0.518 ' C ' ' O ' ' X' ' 12' ' ' LEU . 0.7 OUTLIER -131.68 -162.44 1.23 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.571 -179.449 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . 135.34 -174.16 21.36 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.587 -1.005 . . . . 0.0 110.587 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 10' ' ' LYS . . . . . 0.707 ' H ' ' CE ' ' X' ' 10' ' ' LYS . 0.0 OUTLIER -76.05 -46.95 26.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.699 0.285 . . . . 0.0 110.824 -179.63 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' X' X ' 11' ' ' THR . . . . . . . . . . . . . 33.8 p -125.06 18.78 8.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.647 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 12' ' ' LEU . . . . . 0.518 ' O ' ' C ' ' X' ' 8' ' ' ASN . 11.3 tp -135.21 116.91 14.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.431 -179.469 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.4 139.11 33.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.459 178.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -163.79 154.41 25.29 Favored Glycine 0 CA--C 1.521 0.409 0 N-CA-C 110.462 -1.055 . . . . 0.0 110.462 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -129.95 137.52 50.37 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.09 160.45 39.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.116 0.484 . . . . 0.0 111.53 -179.007 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -142.26 130.99 22.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.474 179.173 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 1.2 m -142.21 152.09 42.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.0 0.428 . . . . 0.0 111.11 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -122.57 136.77 54.97 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.353 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 20' ' ' ALA . . . . . 0.543 ' HB3' ' CE1' ' X' ' 3' ' ' TYR . . . -146.68 177.15 9.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.734 -179.649 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 21' ' ' VAL . . . . . 0.504 HG13 ' N ' ' X' ' 22' ' ' ASP . 7.4 p -70.86 -38.88 74.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.638 178.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 22' ' ' ASP . . . . . 0.557 ' OD1' ' N ' ' X' ' 24' ' ' ALA . 2.4 p30 -155.7 169.62 23.92 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.006 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 23' ' ' ALA . . . . . 0.677 ' O ' ' N ' ' X' ' 27' ' ' GLU . . . -71.76 -29.58 64.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.461 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 24' ' ' ALA . . . . . 0.557 ' N ' ' OD1' ' X' ' 22' ' ' ASP . . . -56.62 -38.98 72.84 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 179.59 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 25' ' ' THR . . . . . 0.453 ' N ' ' OD1' ' X' ' 22' ' ' ASP . 20.3 p -77.73 -47.63 18.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.192 179.047 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 26' ' ' ALA . . . . . 0.708 ' HB1' ' CE2' ' X' ' 30' ' ' PHE . . . -68.42 -38.22 81.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.807 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 27' ' ' GLU . . . . . 0.677 ' N ' ' O ' ' X' ' 23' ' ' ALA . 69.5 tt0 -54.45 -42.73 70.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.819 -179.309 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.6 -37.89 80.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.879 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 25.5 t -69.85 -39.56 77.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.784 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 30' ' ' PHE . . . . . 0.708 ' CE2' ' HB1' ' X' ' 26' ' ' ALA . 32.3 m-85 -65.08 -44.13 89.9 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.05 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 8.1 mmtp -57.34 -30.59 64.94 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -67.92 -30.99 70.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.604 178.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -59.67 -46.49 88.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.188 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.01 -45.08 86.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.942 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.54 -41.27 80.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.273 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -64.03 -30.26 71.35 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 37' ' ' ASN . . . . . 0.984 ' O ' HG23 ' X' ' 39' ' ' VAL . 25.7 m120 -114.29 53.03 0.81 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.274 -0.876 . . . . 0.0 108.692 179.125 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 38' ' ' GLY . . . . . 0.572 ' C ' ' O ' ' X' ' 37' ' ' ASN . . . 2.95 60.28 0.0 OUTLIER Glycine 0 CA--C 1.524 0.625 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.18 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 39' ' ' VAL . . . . . 0.984 HG23 ' O ' ' X' ' 37' ' ' ASN . 51.9 t -95.51 123.45 47.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.022 0.439 . . . . 0.0 110.788 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -118.27 107.67 14.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.006 179.277 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . -160.24 -145.6 4.33 Favored Glycine 0 CA--C 1.517 0.192 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 42' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' X' ' 55' ' ' THR . 0.3 OUTLIER -101.09 137.54 39.31 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.811 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' X' X ' 43' ' ' TRP . . . . . 0.452 ' CE2' ' HB ' ' X' ' 54' ' ' VAL . 2.1 m95 -111.34 141.17 45.23 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.43 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -135.07 165.79 24.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.355 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 45' ' ' TYR . . . . . 0.56 ' CD1' ' CZ ' ' X' ' 52' ' ' PHE . 4.6 t80 -156.19 133.62 10.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.544 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 46' ' ' ASP . . . . . 0.506 ' N ' ' CD1' ' X' ' 45' ' ' TYR . 3.8 m-20 -121.05 121.28 37.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.577 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 47' ' ' ASP . . . . . 0.508 ' N ' ' OD1' ' X' ' 47' ' ' ASP . 10.6 p30 -77.34 -31.37 54.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.447 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.16 -32.89 44.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.668 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 49' ' ' THR . . . . . 0.47 ' O ' ' C ' ' X' ' 50' ' ' LYS . 0.2 OUTLIER -101.93 -0.96 33.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.795 -179.912 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' X' X ' 50' ' ' LYS . . . . . 0.624 ' HE3' HE22 ' X' ' 2' ' ' GLN . 5.4 pttm 34.84 43.29 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.526 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 51' ' ' THR . . . . . . . . . . . . . 98.1 m -120.46 137.13 54.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.497 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 52' ' ' PHE . . . . . 0.56 ' CZ ' ' CD1' ' X' ' 45' ' ' TYR . 17.3 m-85 -115.81 131.21 57.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.228 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 53' ' ' THR . . . . . 0.437 ' CG2' ' N ' ' X' ' 54' ' ' VAL . 3.0 m -144.54 154.87 43.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.829 -179.548 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 54' ' ' VAL . . . . . 0.452 ' HB ' ' CE2' ' X' ' 43' ' ' TRP . 1.6 p -133.09 124.13 49.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.1 179.24 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 55' ' ' THR . . . . . 0.444 ' O ' ' N ' ' X' ' 42' ' ' GLU . 0.3 OUTLIER -125.98 136.71 53.31 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 179.72 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' X' X ' 56' ' ' GLU . . . . . 0.409 ' HG3' ' H ' ' X' ' 56' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--N 1.32 -0.679 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.507 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 1' ' ' MET . . . . . 0.697 ' O ' ' CZ ' ' X' ' 3' ' ' TYR . 2.9 ppp? . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 2' ' ' GLN . . . . . 0.667 ' CD ' ' H ' ' X' ' 2' ' ' GLN . 0.0 OUTLIER -92.56 132.37 36.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.101 -179.572 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' X' X ' 3' ' ' TYR . . . . . 0.697 ' CZ ' ' O ' ' X' ' 1' ' ' MET . 0.0 OUTLIER -125.82 151.03 47.33 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.525 179.608 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -119.72 143.56 47.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.57 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 5' ' ' LEU . . . . . 0.475 HD12 ' HD1' ' X' ' 30' ' ' PHE . 0.1 OUTLIER -119.3 123.31 43.91 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.157 179.803 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' X' X ' 6' ' ' ILE . . . . . 0.719 ' C ' HD22 ' X' ' 7' ' ' LEU . 1.7 mm -116.15 133.93 61.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.185 179.366 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 7' ' ' LEU . . . . . 0.762 HD12 HG21 ' X' ' 39' ' ' VAL . 4.4 mm? -112.65 128.33 56.36 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.033 0.444 . . . . 0.0 110.527 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 8' ' ' ASN . . . . . 0.423 ' HB3' HG23 ' X' ' 55' ' ' THR . 14.0 t30 -133.67 -162.55 1.26 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.315 -179.489 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . 135.28 -158.23 23.53 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 10' ' ' LYS . . . . . 0.454 ' NZ ' ' O ' ' X' ' 56' ' ' GLU . 19.8 mmtt -70.54 -65.86 0.68 Allowed 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 121.583 0.706 . . . . 0.0 110.18 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 11' ' ' THR . . . . . 0.819 HG22 ' O ' ' X' ' 11' ' ' THR . 5.0 m -128.17 22.99 6.08 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 114.467 -1.242 . . . . 0.0 110.198 -178.472 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 12' ' ' LEU . . . . . 0.65 HD13 ' C ' ' X' ' 12' ' ' LEU . 1.0 OUTLIER -122.82 106.72 11.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.437 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' X' X ' 13' ' ' LYS . . . . . 0.574 ' N ' HD13 ' X' ' 12' ' ' LEU . 0.2 OUTLIER -131.57 139.56 49.24 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.976 0.417 . . . . 0.0 110.51 179.32 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' X' X ' 14' ' ' GLY . . . . . 0.497 ' O ' ' N ' ' X' ' 7' ' ' LEU . . . -158.93 149.92 20.23 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 110.614 -0.995 . . . . 0.0 110.614 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -130.1 136.4 49.28 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 16' ' ' THR . . . . . 0.609 ' HG1' ' HH ' ' X' ' 33' ' ' TYR . 1.8 m -140.32 159.12 42.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.041 0.448 . . . . 0.0 111.229 -179.067 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 17' ' ' THR . . . . . 0.533 ' N ' ' CG2' ' X' ' 16' ' ' THR . 9.8 t -142.31 130.7 22.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.77 179.197 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 1.9 m -145.4 152.56 40.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.938 0.399 . . . . 0.0 111.012 -179.392 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -124.36 135.2 53.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.325 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 20' ' ' ALA . . . . . 0.491 ' HB3' ' HH ' ' X' ' 3' ' ' TYR . . . -140.35 178.09 7.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.024 -179.522 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 21' ' ' VAL . . . . . . . . . . . . . 45.7 t -70.07 -38.8 76.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.406 178.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 22' ' ' ASP . . . . . 0.564 ' C ' ' OH ' ' X' ' 3' ' ' TYR . 53.1 p30 -155.6 172.33 18.46 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.998 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 23' ' ' ALA . . . . . 0.66 ' O ' ' N ' ' X' ' 27' ' ' GLU . . . -73.17 -30.54 63.64 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.742 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.29 -39.6 72.95 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 25' ' ' THR . . . . . 0.401 ' H ' ' HG1' ' X' ' 25' ' ' THR . 36.3 p -78.6 -47.02 17.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.276 178.767 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 26' ' ' ALA . . . . . 0.593 ' HB1' ' CE2' ' X' ' 30' ' ' PHE . . . -67.81 -37.6 82.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.726 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 27' ' ' GLU . . . . . 0.66 ' N ' ' O ' ' X' ' 23' ' ' ALA . 68.5 tt0 -54.01 -42.28 68.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.854 -179.319 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 28' ' ' LYS . . . . . 0.41 ' HD2' ' N ' ' X' ' 28' ' ' LYS . 0.0 OUTLIER -65.18 -38.2 89.75 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.177 179.823 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 61.6 t -69.88 -39.33 77.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.812 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 30' ' ' PHE . . . . . 0.593 ' CE2' ' HB1' ' X' ' 26' ' ' ALA . 38.8 m-85 -66.19 -42.93 88.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.114 -179.506 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 31' ' ' LYS . . . . . 0.454 ' CG ' ' O ' ' X' ' 27' ' ' GLU . 0.1 OUTLIER -56.81 -32.09 65.36 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -67.49 -30.22 69.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.884 178.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 33' ' ' TYR . . . . . 0.609 ' HH ' ' HG1' ' X' ' 16' ' ' THR . 3.6 t80 -58.28 -46.59 85.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.313 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 34' ' ' ALA . . . . . 0.449 ' HB2' ' HZ2' ' X' ' 43' ' ' TRP . . . -63.5 -45.45 90.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.119 179.612 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -68.01 -40.99 82.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.362 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -66.25 -31.03 71.6 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.145 0.497 . . . . 0.0 109.973 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 37' ' ' ASN . . . . . 0.944 ' O ' HG23 ' X' ' 39' ' ' VAL . 25.6 m120 -111.32 53.35 0.71 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.535 -0.757 . . . . 0.0 108.972 179.426 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 38' ' ' GLY . . . . . 0.593 ' C ' ' O ' ' X' ' 37' ' ' ASN . . . 3.55 58.8 0.0 OUTLIER Glycine 0 CA--C 1.524 0.626 0 O-C-N 123.694 0.622 . . . . 0.0 112.237 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 39' ' ' VAL . . . . . 0.944 HG23 ' O ' ' X' ' 37' ' ' ASN . 39.9 t -96.71 131.96 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.863 0.363 . . . . 0.0 110.829 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -125.72 106.65 9.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.077 179.233 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . -160.41 -146.97 4.77 Favored Glycine 0 CA--C 1.516 0.138 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 42' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -101.92 140.57 36.02 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 178.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 43' ' ' TRP . . . . . 0.449 ' HZ2' ' HB2' ' X' ' 34' ' ' ALA . 9.0 m95 -112.33 142.33 44.97 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.089 0.471 . . . . 0.0 110.686 -179.676 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.83 170.01 16.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.203 179.67 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 45' ' ' TYR . . . . . 0.702 ' CE2' ' CZ ' ' X' ' 52' ' ' PHE . 21.6 t80 -151.75 131.34 13.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.639 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -122.73 114.24 20.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.521 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 47' ' ' ASP . . . . . 0.608 ' O ' ' CE ' ' X' ' 50' ' ' LYS . 0.7 OUTLIER -77.18 -29.57 54.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.737 -179.793 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.56 -33.27 47.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.109 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 49' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.76 -3.29 17.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.936 -179.59 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 50' ' ' LYS . . . . . 0.608 ' CE ' ' O ' ' X' ' 47' ' ' ASP . 27.5 mmtp 43.5 33.5 0.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.22 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 51' ' ' THR . . . . . 0.464 ' C ' ' CD1' ' X' ' 52' ' ' PHE . 82.7 m -113.97 117.7 32.08 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.848 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 52' ' ' PHE . . . . . 0.702 ' CZ ' ' CE2' ' X' ' 45' ' ' TYR . 0.6 OUTLIER -117.64 132.22 56.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.168 179.606 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' X' X ' 53' ' ' THR . . . . . . . . . . . . . 41.2 p -144.71 158.34 43.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.554 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 54' ' ' VAL . . . . . . . . . . . . . 2.4 p -127.39 126.44 67.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 179.226 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 55' ' ' THR . . . . . 0.423 HG23 ' HB3' ' X' ' 8' ' ' ASN . 4.5 m -125.23 131.19 53.18 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 56' ' ' GLU . . . . . 0.454 ' O ' ' NZ ' ' X' ' 10' ' ' LYS . 2.2 mt-10 . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.642 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 1' ' ' MET . . . . . 0.687 ' O ' ' CZ ' ' X' ' 3' ' ' TYR . 5.3 ptm . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 2' ' ' GLN . . . . . 0.417 ' H ' ' HG3' ' X' ' 2' ' ' GLN . 0.9 OUTLIER -92.32 135.53 33.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.682 -179.834 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' X' X ' 3' ' ' TYR . . . . . 0.687 ' CZ ' ' O ' ' X' ' 1' ' ' MET . 0.0 OUTLIER -123.48 149.12 45.52 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.33 179.753 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 8.1 tttp -118.86 143.27 47.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.339 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 5' ' ' LEU . . . . . 0.657 ' C ' HD12 ' X' ' 6' ' ' ILE . 0.2 OUTLIER -117.22 120.78 39.3 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.249 -179.907 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' X' X ' 6' ' ' ILE . . . . . 0.657 HD12 ' C ' ' X' ' 5' ' ' LEU . 1.8 mp -115.69 132.77 64.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.16 179.139 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 7' ' ' LEU . . . . . 0.58 HD22 ' C ' ' X' ' 6' ' ' ILE . 4.5 mm? -112.94 131.58 55.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.606 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 8' ' ' ASN . . . . . 0.472 ' CB ' HG23 ' X' ' 55' ' ' THR . 0.9 OUTLIER -131.42 -168.48 2.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.17 179.893 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . 128.72 -161.74 22.34 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 10' ' ' LYS . . . . . 0.427 ' CD ' ' H ' ' X' ' 10' ' ' LYS . 0.0 OUTLIER -66.76 -77.93 0.06 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.948 0.404 . . . . 0.0 110.12 179.684 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' X' X ' 11' ' ' THR . . . . . 0.44 ' O ' ' OG1' ' X' ' 11' ' ' THR . 0.7 OUTLIER -113.02 21.31 15.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.386 179.692 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' X' X ' 12' ' ' LEU . . . . . 0.636 HD13 ' C ' ' X' ' 12' ' ' LEU . 0.5 OUTLIER -116.52 100.32 7.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.032 -179.91 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' X' X ' 13' ' ' LYS . . . . . 0.498 ' N ' HD13 ' X' ' 12' ' ' LEU . 8.0 ttmt -132.96 139.24 47.2 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.039 178.727 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -159.53 165.51 34.5 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -137.27 137.64 39.24 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.09 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.92 160.28 39.09 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.436 -0.506 . . . . 0.0 111.811 -178.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 76.2 p -142.81 129.54 20.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.084 179.011 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.79 150.56 35.55 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.236 -0.585 . . . . 0.0 111.781 -179.002 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -128.1 127.16 42.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.041 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 20' ' ' ALA . . . . . 0.513 ' HB3' ' HH ' ' X' ' 3' ' ' TYR . . . -141.99 178.64 7.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.11 0.481 . . . . 0.0 111.173 -179.383 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 21' ' ' VAL . . . . . . . . . . . . . 58.5 t -69.53 -39.26 78.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.359 178.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 22' ' ' ASP . . . . . 0.548 ' C ' ' OH ' ' X' ' 3' ' ' TYR . 13.4 p30 -155.62 171.73 19.46 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.959 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 23' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' X' ' 27' ' ' GLU . . . -72.61 -30.68 64.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.601 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.65 -36.69 69.81 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 25' ' ' THR . . . . . 0.53 ' O ' ' CG1' ' X' ' 29' ' ' VAL . 37.8 p -76.44 -44.86 33.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.459 178.709 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.3 -38.96 82.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.022 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 27' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' X' ' 23' ' ' ALA . 35.6 tt0 -54.6 -48.54 72.04 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -178.482 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -60.42 -47.5 85.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.941 0.4 . . . . 0.0 110.727 -179.271 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 29' ' ' VAL . . . . . 0.53 ' CG1' ' O ' ' X' ' 25' ' ' THR . 0.5 OUTLIER -70.26 -35.68 64.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.596 179.54 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' X' X ' 30' ' ' PHE . . . . . 0.5 ' CD2' ' HG ' ' X' ' 5' ' ' LEU . 0.9 OUTLIER -58.62 -45.09 89.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.61 -179.78 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -57.5 -29.15 64.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.761 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 32' ' ' GLN . . . . . 0.515 ' O ' ' N ' ' X' ' 36' ' ' ASP . 4.0 tt0 -66.93 -31.08 71.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.087 179.081 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -58.83 -46.41 87.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.055 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.19 -45.99 62.24 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -61.09 -43.87 98.22 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.498 179.011 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 36' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' X' ' 32' ' ' GLN . 11.1 t70 -66.35 -29.44 69.63 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 37' ' ' ASN . . . . . 0.769 ' O ' HG23 ' X' ' 39' ' ' VAL . 0.1 OUTLIER -112.21 52.21 0.78 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 179.005 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' X' X ' 38' ' ' GLY . . . . . 0.567 ' C ' ' O ' ' X' ' 37' ' ' ASN . . . 2.92 58.45 0.0 OUTLIER Glycine 0 CA--C 1.527 0.826 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.555 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 39' ' ' VAL . . . . . 0.769 HG23 ' O ' ' X' ' 37' ' ' ASN . 6.5 t -95.77 124.46 48.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -120.39 107.21 12.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.018 179.136 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . -158.35 -150.47 5.78 Favored Glycine 0 CA--C 1.517 0.208 0 N-CA-C 111.442 -0.663 . . . . 0.0 111.442 -179.485 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 42' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -102.59 141.24 35.73 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.004 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 43' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -115.52 148.65 39.26 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.843 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 2.0 t -139.29 160.3 40.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.256 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 45' ' ' TYR . . . . . 0.739 ' CD1' ' CZ ' ' X' ' 52' ' ' PHE . 6.2 t80 -147.06 132.57 18.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.999 0.428 . . . . 0.0 110.857 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 46' ' ' ASP . . . . . 0.468 ' N ' ' CD1' ' X' ' 45' ' ' TYR . 37.3 m-20 -122.87 119.81 31.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.287 179.692 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.9 -27.75 60.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.613 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.12 -31.02 62.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.421 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 49' ' ' THR . . . . . 0.455 ' OG1' ' CB ' ' X' ' 46' ' ' ASP . 13.2 p -109.31 -2.8 17.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.778 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 50' ' ' LYS . . . . . 0.564 ' CD ' ' H2 ' ' X' ' 1' ' ' MET . 0.6 OUTLIER 37.65 48.34 0.92 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.016 -179.838 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' X' X ' 51' ' ' THR . . . . . . . . . . . . . 4.8 m -129.06 146.49 51.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.661 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 52' ' ' PHE . . . . . 0.739 ' CZ ' ' CD1' ' X' ' 45' ' ' TYR . 21.0 m-85 -122.56 131.42 53.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.673 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 53' ' ' THR . . . . . . . . . . . . . 4.5 m -141.43 151.49 43.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.291 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 54' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -129.9 129.2 65.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.897 0.38 . . . . 0.0 110.278 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 55' ' ' THR . . . . . 0.472 HG23 ' CB ' ' X' ' 8' ' ' ASN . 6.1 m -125.08 131.66 53.28 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.199 179.751 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.955 -1.021 . . . . 0.0 110.608 -179.845 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' X' X ' 1' ' ' MET . . . . . 0.696 ' O ' ' CZ ' ' X' ' 3' ' ' TYR . 2.4 ptp . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 2' ' ' GLN . . . . . 0.73 ' CD ' ' H ' ' X' ' 2' ' ' GLN . 1.4 pm0 -92.04 127.59 37.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.995 0.426 . . . . 0.0 110.774 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 3' ' ' TYR . . . . . 0.707 ' CD1' ' N ' ' X' ' 3' ' ' TYR . 0.0 OUTLIER -125.55 151.84 45.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.264 179.844 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 10.5 ptpp? -118.35 141.53 48.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.136 0.493 . . . . 0.0 110.498 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 5' ' ' LEU . . . . . 0.75 HD13 ' C ' ' X' ' 5' ' ' LEU . 2.2 tm? -118.11 108.97 15.84 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.074 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 6' ' ' ILE . . . . . 0.49 ' N ' HD22 ' X' ' 5' ' ' LEU . 0.0 OUTLIER -116.17 133.62 62.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.085 179.901 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' X' X ' 7' ' ' LEU . . . . . 0.445 HD13 HG21 ' X' ' 39' ' ' VAL . 17.3 mt -110.14 130.73 55.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.842 0.353 . . . . 0.0 110.081 179.518 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -125.12 -163.97 1.24 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.376 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . 134.3 -160.24 24.09 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 10' ' ' LYS . . . . . 0.411 ' H ' ' HD2' ' X' ' 10' ' ' LYS . 1.6 mptt -61.77 -81.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.977 0.417 . . . . 0.0 110.666 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 11' ' ' THR . . . . . 0.405 ' H ' ' HB2' ' X' ' 10' ' ' LYS . 3.6 t -110.55 18.5 19.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.078 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 tp -112.38 112.38 23.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.776 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -134.87 139.7 45.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.597 179.531 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -162.0 145.8 11.24 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 15' ' ' GLU . . . . . 0.638 ' OE1' ' N ' ' X' ' 15' ' ' GLU . 0.0 OUTLIER -132.78 134.98 45.4 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 178.896 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -141.3 159.64 41.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.22 0.533 . . . . 0.0 111.675 -178.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.09 132.36 20.57 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.319 179.016 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.41 152.39 40.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.819 -179.703 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -118.84 126.86 52.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.133 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 20' ' ' ALA . . . . . . . . . . . . . . . -137.07 177.48 7.83 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.193 0.52 . . . . 0.0 111.224 -179.303 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 21' ' ' VAL . . . . . . . . . . . . . 6.5 t -72.41 -37.24 57.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.571 179.157 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 22' ' ' ASP . . . . . 0.548 ' OD1' ' N ' ' X' ' 24' ' ' ALA . 2.3 p30 -154.71 171.28 19.8 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.077 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 23' ' ' ALA . . . . . 0.407 ' HA ' ' CE2' ' X' ' 3' ' ' TYR . . . -72.44 -30.52 64.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.653 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 24' ' ' ALA . . . . . 0.548 ' N ' ' OD1' ' X' ' 22' ' ' ASP . . . -56.74 -36.49 69.82 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 25' ' ' THR . . . . . 0.516 ' N ' ' OD1' ' X' ' 22' ' ' ASP . 41.2 p -76.59 -46.31 26.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.316 179.196 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.44 -37.79 83.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.879 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 27' ' ' GLU . . . . . 0.511 ' O ' ' CG ' ' X' ' 31' ' ' LYS . 16.0 tt0 -54.92 -42.71 72.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.281 -179.078 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -66.31 -45.49 80.17 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.525 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 25.2 t -69.73 -39.87 78.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.319 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 30' ' ' PHE . . . . . 0.437 ' CD2' ' HB2' ' X' ' 5' ' ' LEU . 3.9 m-30 -62.05 -44.45 96.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.769 -179.649 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 31' ' ' LYS . . . . . 0.511 ' CG ' ' O ' ' X' ' 27' ' ' GLU . 18.6 mmtt -58.18 -29.65 65.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.721 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 32' ' ' GLN . . . . . 0.587 ' O ' ' N ' ' X' ' 36' ' ' ASP . 41.3 tp60 -62.52 -32.14 73.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.85 179.14 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -60.04 -47.24 86.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.04 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.19 -47.13 71.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.713 179.364 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -65.78 -42.88 90.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.806 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 36' ' ' ASP . . . . . 0.587 ' N ' ' O ' ' X' ' 32' ' ' GLN . 12.0 t70 -63.02 -27.96 69.77 Favored 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 179.225 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 37' ' ' ASN . . . . . 0.953 ' O ' HG23 ' X' ' 39' ' ' VAL . 24.4 m120 -119.47 52.82 1.07 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.127 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 38' ' ' GLY . . . . . 0.597 ' C ' ' O ' ' X' ' 37' ' ' ASN . . . 1.52 62.69 0.0 OUTLIER Glycine 0 CA--C 1.523 0.589 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.97 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 39' ' ' VAL . . . . . 0.953 HG23 ' O ' ' X' ' 37' ' ' ASN . 55.1 t -94.67 127.88 46.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.831 0.348 . . . . 0.0 110.687 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -121.79 107.6 12.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.125 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . -157.07 -152.0 6.18 Favored Glycine 0 CA--C 1.519 0.285 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 42' ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -102.38 136.51 42.09 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 179.123 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 43' ' ' TRP . . . . . 0.528 ' CE3' HG13 ' X' ' 54' ' ' VAL . 0.7 OUTLIER -112.62 142.04 45.68 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.626 -179.882 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.68 151.26 51.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.353 179.67 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 45' ' ' TYR . . . . . 0.658 ' CD1' ' CE1' ' X' ' 52' ' ' PHE . 5.6 t80 -142.84 123.95 14.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.287 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.58 133.14 56.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.272 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -77.49 -32.89 54.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.981 0.419 . . . . 0.0 110.618 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.71 -32.31 60.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.28 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 49' ' ' THR . . . . . 0.545 ' O ' ' C ' ' X' ' 50' ' ' LYS . 0.2 OUTLIER -104.37 -2.08 25.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.427 179.895 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' X' X ' 50' ' ' LYS . . . . . 0.562 ' O ' ' CG ' ' X' ' 50' ' ' LYS . 0.2 OUTLIER 26.12 49.8 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.621 -179.734 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' X' X ' 51' ' ' THR . . . . . 0.422 ' N ' ' O ' ' X' ' 49' ' ' THR . 2.6 m -125.45 143.56 50.93 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.58 -179.733 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 52' ' ' PHE . . . . . 0.658 ' CE1' ' CD1' ' X' ' 45' ' ' TYR . 19.0 m-85 -117.39 132.66 56.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.403 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 53' ' ' THR . . . . . 0.444 ' CG2' ' N ' ' X' ' 54' ' ' VAL . 1.3 m -142.28 154.28 44.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.479 -179.596 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 54' ' ' VAL . . . . . 0.528 HG13 ' CE3' ' X' ' 43' ' ' TRP . 0.1 OUTLIER -129.45 124.58 60.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.133 179.505 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' X' X ' 55' ' ' THR . . . . . . . . . . . . . 2.3 m -125.78 128.47 47.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.247 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.524 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 1' ' ' MET . . . . . 0.693 ' O ' ' CZ ' ' X' ' 3' ' ' TYR . 13.0 ptm . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 2' ' ' GLN . . . . . 0.714 ' NE2' ' O ' ' X' ' 2' ' ' GLN . 1.4 pm0 -91.73 124.41 35.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.124 0.488 . . . . 0.0 110.867 -179.614 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 3' ' ' TYR . . . . . 0.693 ' CZ ' ' O ' ' X' ' 1' ' ' MET . 0.0 OUTLIER -117.8 147.03 43.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.923 179.576 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -118.65 143.11 47.04 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.351 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 5' ' ' LEU . . . . . 0.564 ' C ' HD12 ' X' ' 6' ' ' ILE . 13.4 tp -113.85 130.23 56.5 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.417 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 6' ' ' ILE . . . . . 0.614 ' C ' HD22 ' X' ' 7' ' ' LEU . 1.7 mp -116.7 134.46 60.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.42 179.365 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 7' ' ' LEU . . . . . 0.942 HD22 ' N ' ' X' ' 7' ' ' LEU . 1.4 mm? -111.08 128.9 56.02 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.335 179.366 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 8' ' ' ASN . . . . . 0.502 ' C ' ' O ' ' X' ' 12' ' ' LEU . 16.3 m-20 -133.77 -163.27 1.34 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.354 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.94 -168.96 23.09 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.841 -0.903 . . . . 0.0 110.841 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.23 -57.08 4.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.769 0.319 . . . . 0.0 110.803 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -122.51 22.64 9.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.593 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 12' ' ' LEU . . . . . 0.502 ' O ' ' C ' ' X' ' 8' ' ' ASN . 6.6 tp -133.18 112.21 11.54 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.749 -0.381 . . . . 0.0 111.52 -179.306 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 17.2 ttpt -140.51 138.85 34.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.411 178.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -163.27 169.74 38.47 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.306 -1.118 . . . . 0.0 110.306 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -139.64 136.96 34.85 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 179.314 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 16' ' ' THR . . . . . 0.516 ' CG2' ' N ' ' X' ' 17' ' ' THR . 1.6 m -138.94 158.14 44.75 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.803 -179.514 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 17' ' ' THR . . . . . 0.516 ' N ' ' CG2' ' X' ' 16' ' ' THR . 3.0 t -139.96 135.74 33.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.648 179.238 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -143.93 150.94 39.14 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.222 0.534 . . . . 0.0 111.12 -179.448 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -125.17 129.74 50.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.846 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 20' ' ' ALA . . . . . 0.442 ' HB3' ' CE1' ' X' ' 3' ' ' TYR . . . -138.71 177.88 7.56 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.312 0.577 . . . . 0.0 111.346 -179.216 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 21' ' ' VAL . . . . . 0.45 HG22 ' H ' ' X' ' 21' ' ' VAL . 0.1 OUTLIER -70.62 -38.6 73.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.511 178.891 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' X' X ' 22' ' ' ASP . . . . . 0.562 ' C ' ' OH ' ' X' ' 3' ' ' TYR . 4.4 p30 -155.87 172.74 17.84 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.072 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.82 -30.91 64.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.505 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.32 -36.15 68.38 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 25' ' ' THR . . . . . 0.614 ' O ' HG23 ' X' ' 29' ' ' VAL . 12.0 p -77.82 -42.89 32.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.091 178.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 26' ' ' ALA . . . . . 0.664 ' O ' ' CD2' ' X' ' 30' ' ' PHE . . . -64.31 -39.18 93.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.062 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 27' ' ' GLU . . . . . 0.653 ' O ' ' CG ' ' X' ' 31' ' ' LYS . 5.3 pt-20 -55.06 -45.2 75.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.763 0.316 . . . . 0.0 110.575 -179.611 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 28' ' ' LYS . . . . . 0.567 ' N ' ' CG ' ' X' ' 27' ' ' GLU . 0.2 OUTLIER -73.39 -38.85 65.49 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.954 179.826 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' X' X ' 29' ' ' VAL . . . . . 0.614 HG23 ' O ' ' X' ' 25' ' ' THR . 93.9 t -71.17 -54.86 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -178.317 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 30' ' ' PHE . . . . . 0.664 ' CD2' ' O ' ' X' ' 26' ' ' ALA . 3.9 p90 -74.8 -29.98 61.27 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 119.843 -0.743 . . . . 0.0 112.485 -178.05 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 31' ' ' LYS . . . . . 0.653 ' CG ' ' O ' ' X' ' 27' ' ' GLU . 18.4 mmtp -55.61 -29.33 58.95 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 119.723 -0.791 . . . . 0.0 109.129 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -64.73 -30.82 71.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.771 179.627 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 33' ' ' TYR . . . . . 0.573 ' C ' ' CD1' ' X' ' 33' ' ' TYR . 4.3 t80 -57.89 -44.66 86.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.339 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.33 -45.92 68.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 109.927 179.253 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 35' ' ' ASN . . . . . 0.428 ' N ' ' OD1' ' X' ' 35' ' ' ASN . 1.3 m-20 -62.41 -42.44 99.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.95 179.459 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -65.8 -30.15 70.74 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 37' ' ' ASN . . . . . 0.943 ' O ' HG23 ' X' ' 39' ' ' VAL . 31.7 t30 -112.41 52.92 0.75 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 179.093 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 38' ' ' GLY . . . . . 0.587 ' C ' ' O ' ' X' ' 37' ' ' ASN . . . 3.74 60.77 0.0 OUTLIER Glycine 0 CA--C 1.524 0.615 0 CA-C-N 115.65 -0.704 . . . . 0.0 112.049 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 39' ' ' VAL . . . . . 0.943 HG23 ' O ' ' X' ' 37' ' ' ASN . 52.3 t -94.89 109.64 22.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.708 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -109.87 108.45 18.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.045 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . -156.35 -151.11 5.84 Favored Glycine 0 CA--C 1.519 0.308 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 42' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -101.68 133.04 47.01 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.237 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 43' ' ' TRP . . . . . 0.568 ' HE1' ' HB3' ' X' ' 52' ' ' PHE . 0.6 OUTLIER -114.09 144.05 43.77 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.847 -179.751 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 3.2 p -133.99 153.76 51.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.179 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 45' ' ' TYR . . . . . 0.775 ' CD1' ' CE2' ' X' ' 52' ' ' PHE . 2.9 t80 -144.16 125.02 14.25 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.556 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 46' ' ' ASP . . . . . 0.418 ' N ' ' CD1' ' X' ' 45' ' ' TYR . 6.2 t0 -117.61 132.81 56.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.218 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.71 -32.59 53.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.913 0.387 . . . . 0.0 110.567 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.53 -32.58 58.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.418 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 49' ' ' THR . . . . . 0.538 ' O ' ' C ' ' X' ' 50' ' ' LYS . 0.3 OUTLIER -102.89 -1.9 28.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.331 179.73 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' X' X ' 50' ' ' LYS . . . . . 0.538 ' C ' ' O ' ' X' ' 49' ' ' THR . 5.1 ptmt 26.65 46.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.65 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 51' ' ' THR . . . . . 0.466 ' N ' ' O ' ' X' ' 49' ' ' THR . 2.5 m -125.76 137.72 53.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.46 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 52' ' ' PHE . . . . . 0.775 ' CE2' ' CD1' ' X' ' 45' ' ' TYR . 34.2 m-85 -119.44 132.43 55.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.712 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 53' ' ' THR . . . . . 0.44 ' CG2' ' N ' ' X' ' 54' ' ' VAL . 1.4 m -142.4 154.51 44.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.452 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 54' ' ' VAL . . . . . 0.44 ' N ' ' CG2' ' X' ' 53' ' ' THR . 5.2 p -130.3 127.15 62.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.896 0.379 . . . . 0.0 110.665 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 55' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -125.73 134.67 51.7 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.675 179.363 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 56' ' ' GLU . . . . . 0.412 ' H ' ' HG3' ' X' ' 56' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.669 0 CA-C-O 118.003 -0.999 . . . . 0.0 110.607 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 1' ' ' MET . . . . . 0.691 ' O ' ' CZ ' ' X' ' 3' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 2' ' ' GLN . . . . . 0.679 ' CD ' ' H ' ' X' ' 2' ' ' GLN . 2.2 pm0 -91.82 136.98 32.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.459 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 3' ' ' TYR . . . . . 0.764 ' CD1' ' N ' ' X' ' 3' ' ' TYR . 0.0 OUTLIER -124.88 151.41 45.36 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.169 179.76 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' X' X ' 4' ' ' LYS . . . . . 0.529 ' H ' HG23 ' X' ' 51' ' ' THR . 32.5 tttm -118.21 142.24 47.67 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.357 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 5' ' ' LEU . . . . . 0.658 HD22 ' CD2' ' X' ' 7' ' ' LEU . 0.5 OUTLIER -113.73 121.69 44.85 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.129 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' X' X ' 6' ' ' ILE . . . . . 0.576 ' C ' HD22 ' X' ' 7' ' ' LEU . 2.0 mm -115.51 132.2 65.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.547 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 7' ' ' LEU . . . . . 0.658 ' CD2' HD22 ' X' ' 5' ' ' LEU . 4.4 mm? -113.68 127.73 56.15 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.847 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 8' ' ' ASN . . . . . 0.43 ' O ' ' O ' ' X' ' 12' ' ' LEU . 84.2 m-20 -128.21 -164.66 1.4 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.135 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.8 -165.82 24.12 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.846 -0.901 . . . . 0.0 110.846 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 10' ' ' LYS . . . . . 0.456 ' N ' ' HD3' ' X' ' 10' ' ' LYS . 10.7 mmtp -74.04 -61.07 1.98 Allowed 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.323 0.582 . . . . 0.0 110.36 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.14 18.44 10.78 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.711 -179.238 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 12' ' ' LEU . . . . . 0.612 HD13 ' C ' ' X' ' 12' ' ' LEU . 0.5 OUTLIER -125.37 105.78 9.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.846 -179.803 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' X' X ' 13' ' ' LYS . . . . . 0.585 ' N ' HD13 ' X' ' 12' ' ' LEU . 3.0 ttpm? -131.88 139.26 48.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.125 178.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 14' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' X' ' 7' ' ' LEU . . . -163.1 152.65 22.85 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.674 -0.97 . . . . 0.0 110.674 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -129.32 138.42 51.57 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 16' ' ' THR . . . . . 0.625 HG21 ' CE2' ' X' ' 33' ' ' TYR . 0.2 OUTLIER -135.98 162.12 33.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.295 0.569 . . . . 0.0 111.831 -178.933 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -143.12 129.54 20.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.377 178.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 1.9 m -144.29 151.93 40.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.971 0.415 . . . . 0.0 110.887 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -124.25 135.55 53.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.481 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 20' ' ' ALA . . . . . 0.538 ' O ' ' SD ' ' X' ' 1' ' ' MET . . . -148.91 176.9 10.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 21' ' ' VAL . . . . . . . . . . . . . 23.0 t -71.43 -38.54 69.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.55 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 22' ' ' ASP . . . . . 0.746 ' OD1' ' HB3' ' X' ' 24' ' ' ALA . 3.3 p30 -154.95 169.98 22.79 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.952 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 23' ' ' ALA . . . . . 0.551 ' O ' ' N ' ' X' ' 27' ' ' GLU . . . -72.15 -29.1 63.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.638 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 24' ' ' ALA . . . . . 0.746 ' HB3' ' OD1' ' X' ' 22' ' ' ASP . . . -55.66 -37.9 68.88 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 25' ' ' THR . . . . . . . . . . . . . 15.3 p -76.64 -44.86 32.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.806 178.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.21 -36.49 83.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.43 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 27' ' ' GLU . . . . . 0.551 ' N ' ' O ' ' X' ' 23' ' ' ALA . 19.7 tt0 -53.92 -45.71 71.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.286 -178.626 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 9.2 mmtp -64.62 -47.09 79.84 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.84 -179.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 29' ' ' VAL . . . . . 0.401 ' O ' ' HB3' ' X' ' 32' ' ' GLN . 0.6 OUTLIER -70.26 -36.23 66.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.774 179.418 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' X' X ' 30' ' ' PHE . . . . . 0.475 ' CD2' ' HB2' ' X' ' 52' ' ' PHE . 1.9 m-85 -58.95 -45.03 91.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.534 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 31' ' ' LYS . . . . . 0.536 ' NZ ' ' CG ' ' X' ' 27' ' ' GLU . 3.5 mmtp -58.31 -30.04 66.36 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.816 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 32' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' X' ' 36' ' ' ASP . 21.4 tt0 -68.1 -31.23 70.69 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.334 179.318 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 33' ' ' TYR . . . . . 0.625 ' CE2' HG21 ' X' ' 16' ' ' THR . 23.7 t80 -58.74 -46.09 88.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.038 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.45 -44.54 78.4 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 39.4 t-20 -65.92 -41.64 91.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.996 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 36' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' X' ' 32' ' ' GLN . 15.7 m-20 -65.13 -30.59 71.53 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 37' ' ' ASN . . . . . 0.914 ' O ' HG23 ' X' ' 39' ' ' VAL . 2.3 m-20 -113.56 53.1 0.78 Allowed 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.374 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 38' ' ' GLY . . . . . 0.58 ' C ' ' O ' ' X' ' 37' ' ' ASN . . . 3.07 59.32 0.0 OUTLIER Glycine 0 CA--C 1.524 0.63 0 CA-C-N 115.769 -0.651 . . . . 0.0 112.353 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 39' ' ' VAL . . . . . 0.914 HG23 ' O ' ' X' ' 37' ' ' ASN . 25.0 t -97.43 132.47 42.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.922 0.392 . . . . 0.0 110.827 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 40' ' ' ASP . . . . . 0.49 ' CG ' ' O ' ' X' ' 40' ' ' ASP . 9.8 p-10 -126.09 107.0 9.99 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.21 179.228 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . -157.38 -152.83 6.47 Favored Glycine 0 CA--C 1.517 0.209 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 42' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -102.76 142.46 33.87 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 43' ' ' TRP . . . . . 0.468 ' CE3' HG13 ' X' ' 54' ' ' VAL . 0.6 OUTLIER -112.88 142.63 45.32 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.755 -179.602 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -128.38 149.58 50.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.374 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 45' ' ' TYR . . . . . 0.738 ' CD1' ' CZ ' ' X' ' 52' ' ' PHE . 21.2 t80 -137.54 122.14 18.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.463 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -117.7 128.26 54.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.35 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -77.11 -31.98 56.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.98 0.419 . . . . 0.0 110.538 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.92 -32.29 59.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.418 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 49' ' ' THR . . . . . 0.539 ' O ' ' C ' ' X' ' 50' ' ' LYS . 0.3 OUTLIER -103.67 -2.09 27.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.33 179.848 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' X' X ' 50' ' ' LYS . . . . . 0.554 ' O ' ' CG ' ' X' ' 50' ' ' LYS . 0.0 OUTLIER 26.85 46.27 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.605 -179.655 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' X' X ' 51' ' ' THR . . . . . 0.529 HG23 ' H ' ' X' ' 4' ' ' LYS . 99.4 m -124.93 143.81 50.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.522 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 52' ' ' PHE . . . . . 0.738 ' CZ ' ' CD1' ' X' ' 45' ' ' TYR . 30.2 m-85 -115.85 132.68 56.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.354 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 53' ' ' THR . . . . . 0.409 HG22 ' N ' ' X' ' 54' ' ' VAL . 16.7 m -141.44 154.51 45.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.348 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 54' ' ' VAL . . . . . 0.468 HG13 ' CE3' ' X' ' 43' ' ' TRP . 0.1 OUTLIER -126.28 124.87 66.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 179.48 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' X' X ' 55' ' ' THR . . . . . . . . . . . . . 2.2 m -125.58 129.65 50.09 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.202 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.573 -179.903 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' X' X ' 1' ' ' MET . . . . . 0.68 ' O ' ' CZ ' ' X' ' 3' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 2' ' ' GLN . . . . . . . . . . . . . 9.8 tm0? -92.47 118.29 30.81 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.127 -0.629 . . . . 0.0 111.435 -179.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 3' ' ' TYR . . . . . 0.68 ' CZ ' ' O ' ' X' ' 1' ' ' MET . 0.0 OUTLIER -128.7 142.55 50.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.65 179.608 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' X' X ' 4' ' ' LYS . . . . . 0.544 ' O ' ' O ' ' X' ' 52' ' ' PHE . 14.4 ttpt -118.99 139.74 51.17 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.973 179.46 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 5' ' ' LEU . . . . . 0.817 HD13 ' C ' ' X' ' 5' ' ' LEU . 3.1 tm? -117.54 112.78 21.04 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.188 0.518 . . . . 0.0 110.278 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 6' ' ' ILE . . . . . 0.428 HD11 ' CE ' ' X' ' 4' ' ' LYS . 10.1 mt -116.58 135.5 56.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.981 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 7' ' ' LEU . . . . . 0.725 HD23 HD11 ' X' ' 5' ' ' LEU . 0.8 OUTLIER -112.23 130.08 56.05 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.35 179.188 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' X' X ' 8' ' ' ASN . . . . . 0.494 ' C ' ' O ' ' X' ' 12' ' ' LEU . 2.1 t-20 -129.16 -164.08 1.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.48 -179.642 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.61 -166.86 23.76 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 10' ' ' LYS . . . . . 0.441 ' N ' ' HD3' ' X' ' 10' ' ' LYS . 4.3 mmtt -74.01 -62.46 1.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.788 0.328 . . . . 0.0 110.367 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 11' ' ' THR . . . . . 0.435 ' O ' ' OG1' ' X' ' 11' ' ' THR . 0.6 OUTLIER -117.75 21.37 12.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.318 179.722 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' X' X ' 12' ' ' LEU . . . . . 0.562 ' CD1' ' C ' ' X' ' 12' ' ' LEU . 0.2 OUTLIER -128.69 106.16 8.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.677 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' X' X ' 13' ' ' LYS . . . . . 0.528 ' N ' HD13 ' X' ' 12' ' ' LEU . 19.9 ttpt -131.92 139.22 48.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.041 0.448 . . . . 0.0 110.126 179.061 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 14' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' X' ' 7' ' ' LEU . . . -160.39 146.33 12.41 Favored Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -131.06 134.28 46.48 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.087 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 2.6 m -141.81 162.47 35.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.067 0.461 . . . . 0.0 111.3 -178.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 17' ' ' THR . . . . . 0.461 ' O ' HG23 ' X' ' 17' ' ' THR . 12.6 t -141.8 129.95 22.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.387 178.752 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -141.16 152.03 44.34 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.041 0.448 . . . . 0.0 110.662 -179.274 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -127.08 129.01 47.17 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.349 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.96 174.58 10.47 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.903 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 21' ' ' VAL . . . . . 0.406 HG13 ' N ' ' X' ' 22' ' ' ASP . 7.3 p -70.95 -33.62 52.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.737 178.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 22' ' ' ASP . . . . . 0.536 ' C ' ' OH ' ' X' ' 3' ' ' TYR . 2.4 p30 -154.64 170.46 21.47 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.118 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 23' ' ' ALA . . . . . 0.434 ' HA ' ' CE2' ' X' ' 3' ' ' TYR . . . -73.58 -32.08 63.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.169 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 24' ' ' ALA . . . . . 0.423 ' N ' ' OD1' ' X' ' 22' ' ' ASP . . . -56.07 -37.45 69.33 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 25' ' ' THR . . . . . 0.417 ' N ' ' OD1' ' X' ' 22' ' ' ASP . 0.7 OUTLIER -76.53 -46.2 27.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.12 179.239 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' X' X ' 26' ' ' ALA . . . . . 0.512 ' O ' ' CD2' ' X' ' 30' ' ' PHE . . . -59.6 -35.68 74.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.522 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 27' ' ' GLU . . . . . 0.635 ' O ' ' CG ' ' X' ' 31' ' ' LYS . 27.2 tt0 -53.67 -44.33 69.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.217 -179.311 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 10.6 mmtt -72.32 -38.86 68.56 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.373 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 59.3 t -71.46 -54.98 15.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -177.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 30' ' ' PHE . . . . . 0.541 ' CE2' ' HA ' ' X' ' 27' ' ' GLU . 2.5 p90 -74.71 -29.47 61.2 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 119.891 -0.724 . . . . 0.0 112.547 -178.041 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 31' ' ' LYS . . . . . 0.635 ' CG ' ' O ' ' X' ' 27' ' ' GLU . 45.3 mmtt -55.27 -30.46 60.16 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 119.766 -0.774 . . . . 0.0 108.931 179.537 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 32' ' ' GLN . . . . . 0.417 ' O ' ' N ' ' X' ' 36' ' ' ASP . 17.7 tt0 -61.29 -28.91 69.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.35 179.188 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -57.08 -46.19 82.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.67 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 34' ' ' ALA . . . . . 0.536 ' HB2' ' CH2' ' X' ' 43' ' ' TRP . . . -64.84 -47.97 76.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.01 0.434 . . . . 0.0 109.884 179.495 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -63.8 -38.1 89.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.965 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 36' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' X' ' 32' ' ' GLN . 17.7 t70 -62.55 -28.69 70.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.525 179.361 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 37' ' ' ASN . . . . . 1.014 ' O ' HG23 ' X' ' 39' ' ' VAL . 31.7 m120 -118.25 53.02 0.98 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.209 -0.905 . . . . 0.0 108.59 179.354 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 38' ' ' GLY . . . . . 0.581 ' C ' ' O ' ' X' ' 37' ' ' ASN . . . 0.98 60.97 0.0 OUTLIER Glycine 0 CA--C 1.523 0.594 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.242 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 39' ' ' VAL . . . . . 1.014 HG23 ' O ' ' X' ' 37' ' ' ASN . 47.4 t -98.15 138.15 23.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.943 0.401 . . . . 0.0 110.864 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -126.17 108.11 11.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.292 179.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . -155.44 -154.54 6.97 Favored Glycine 0 CA--C 1.518 0.242 0 N-CA-C 111.261 -0.735 . . . . 0.0 111.261 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 42' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -102.83 137.46 41.02 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 43' ' ' TRP . . . . . 0.665 ' CE2' HG22 ' X' ' 54' ' ' VAL . 0.5 OUTLIER -113.18 144.75 42.14 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.301 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.64 147.73 52.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.486 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 45' ' ' TYR . . . . . 0.731 ' CD1' ' CZ ' ' X' ' 52' ' ' PHE . 3.9 t80 -135.03 121.63 20.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.22 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -115.99 129.36 56.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.589 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 47' ' ' ASP . . . . . 0.574 ' OD1' ' N ' ' X' ' 48' ' ' ALA . 45.2 p-10 -76.74 -30.28 56.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.738 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 48' ' ' ALA . . . . . 0.574 ' N ' ' OD1' ' X' ' 47' ' ' ASP . . . -72.37 -31.79 65.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.779 -179.517 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 49' ' ' THR . . . . . 0.479 ' O ' ' C ' ' X' ' 50' ' ' LYS . 0.2 OUTLIER -110.51 -3.31 16.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.773 -179.901 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' X' X ' 50' ' ' LYS . . . . . 0.479 ' C ' ' O ' ' X' ' 49' ' ' THR . 1.8 ptpt 34.69 44.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.45 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 51' ' ' THR . . . . . . . . . . . . . 3.0 m -126.52 139.26 53.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.689 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 52' ' ' PHE . . . . . 0.731 ' CZ ' ' CD1' ' X' ' 45' ' ' TYR . 4.4 m-85 -120.2 132.07 55.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.388 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 53' ' ' THR . . . . . 0.504 ' CG2' ' N ' ' X' ' 54' ' ' VAL . 1.4 m -144.45 159.06 43.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.032 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 54' ' ' VAL . . . . . 0.665 HG22 ' CE2' ' X' ' 43' ' ' TRP . 0.9 OUTLIER -128.2 125.8 64.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.735 179.83 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' X' X ' 55' ' ' THR . . . . . . . . . . . . . 3.0 m -125.82 129.84 50.2 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.06 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.616 -179.908 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' X' X ' 1' ' ' MET . . . . . 0.706 ' O ' ' CE1' ' X' ' 3' ' ' TYR . 1.2 ptt? . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 2' ' ' GLN . . . . . 0.712 ' CD ' ' H ' ' X' ' 2' ' ' GLN . 0.0 OUTLIER -91.82 129.98 37.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.968 0.413 . . . . 0.0 110.818 -179.761 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' X' X ' 3' ' ' TYR . . . . . 0.706 ' CE1' ' O ' ' X' ' 1' ' ' MET . 0.0 OUTLIER -123.35 151.21 42.73 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.955 179.32 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' X' X ' 4' ' ' LYS . . . . . 0.485 ' O ' ' O ' ' X' ' 52' ' ' PHE . 15.0 mmtp -118.22 143.18 46.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.259 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 5' ' ' LEU . . . . . 0.759 HD13 ' C ' ' X' ' 5' ' ' LEU . 3.1 tm? -117.46 114.61 23.75 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.468 -179.626 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 6' ' ' ILE . . . . . 0.518 ' H ' HG22 ' X' ' 53' ' ' THR . 8.1 mm -116.55 132.41 66.29 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.232 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.041 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 7' ' ' LEU . . . . . 0.744 HD23 HD11 ' X' ' 5' ' ' LEU . 0.8 OUTLIER -114.01 129.68 56.59 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.419 179.38 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' X' X ' 8' ' ' ASN . . . . . 0.513 ' O ' ' O ' ' X' ' 12' ' ' LEU . 21.7 m120 -126.72 -164.91 1.39 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.422 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.24 -169.15 22.76 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 10' ' ' LYS . . . . . 0.456 ' N ' ' HD3' ' X' ' 10' ' ' LYS . 14.1 mmtt -71.53 -57.78 4.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.906 0.384 . . . . 0.0 110.295 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -124.5 5.41 8.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.422 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 12' ' ' LEU . . . . . 0.651 HD13 ' C ' ' X' ' 12' ' ' LEU . 0.8 OUTLIER -107.89 105.86 15.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.739 -179.913 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' X' X ' 13' ' ' LYS . . . . . 0.594 ' N ' HD13 ' X' ' 12' ' ' LEU . 11.0 ttmt -133.69 139.7 46.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.997 179.134 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 14' ' ' GLY . . . . . 0.546 ' O ' ' N ' ' X' ' 7' ' ' LEU . . . -160.94 143.16 8.67 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -132.52 135.96 46.32 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.043 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 16' ' ' THR . . . . . 0.567 ' CG2' ' N ' ' X' ' 17' ' ' THR . 1.0 OUTLIER -142.25 164.23 30.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.945 0.402 . . . . 0.0 111.003 -178.927 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' X' X ' 17' ' ' THR . . . . . 0.567 ' N ' ' CG2' ' X' ' 16' ' ' THR . 0.1 OUTLIER -137.89 130.46 29.53 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.654 179.428 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 1.8 m -145.49 150.25 36.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.949 0.404 . . . . 0.0 110.895 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -124.17 132.51 53.63 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.01 179.353 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 20' ' ' ALA . . . . . 0.402 ' HB3' ' CE1' ' X' ' 3' ' ' TYR . . . -139.64 176.56 8.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.14 0.495 . . . . 0.0 111.254 -179.4 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 21' ' ' VAL . . . . . 0.487 HG23 ' N ' ' X' ' 22' ' ' ASP . 29.3 m -71.44 -37.41 64.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.698 179.074 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 22' ' ' ASP . . . . . 0.543 ' C ' ' OH ' ' X' ' 3' ' ' TYR . 2.6 p30 -154.65 171.73 19.03 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.088 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.63 -29.9 63.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.443 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 24' ' ' ALA . . . . . 0.52 ' N ' ' OD1' ' X' ' 22' ' ' ASP . . . -55.85 -38.37 69.98 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 25' ' ' THR . . . . . 0.46 ' N ' ' OD1' ' X' ' 22' ' ' ASP . 1.6 p -77.58 -43.74 30.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.977 178.722 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 26' ' ' ALA . . . . . 0.473 ' O ' ' CD2' ' X' ' 30' ' ' PHE . . . -57.43 -34.64 69.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.491 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 27' ' ' GLU . . . . . 0.549 ' HA ' ' CE2' ' X' ' 30' ' ' PHE . 0.5 OUTLIER -52.45 -40.5 62.34 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.164 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' X' X ' 28' ' ' LYS . . . . . 0.498 ' N ' ' HG3' ' X' ' 27' ' ' GLU . 0.4 OUTLIER -72.25 -39.83 68.13 Favored 'General case' 0 C--N 1.317 -0.832 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.885 179.854 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 98.5 t -73.03 -56.16 10.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 113.507 0.929 . . . . 0.0 113.507 -178.343 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 30' ' ' PHE . . . . . 0.686 ' CD1' ' N ' ' X' ' 31' ' ' LYS . 3.7 p90 -75.09 -41.98 57.62 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 120.149 -0.62 . . . . 0.0 112.535 -177.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 31' ' ' LYS . . . . . 0.686 ' N ' ' CD1' ' X' ' 30' ' ' PHE . 1.8 tppp? -55.87 -29.14 59.45 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 119.733 -0.787 . . . . 0.0 109.168 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 32' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' X' ' 36' ' ' ASP . 18.9 tt0 -60.88 -30.02 69.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.243 178.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -57.94 -46.1 85.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.524 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.02 -47.16 75.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.019 0.438 . . . . 0.0 110.047 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -67.72 -39.9 84.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.48 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 36' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' X' ' 32' ' ' GLN . 44.8 t0 -66.79 -29.65 69.65 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.043 179.677 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 37' ' ' ASN . . . . . 0.716 ' O ' HG23 ' X' ' 39' ' ' VAL . 7.4 t-20 -110.63 54.07 0.68 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.286 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 38' ' ' GLY . . . . . 0.575 ' C ' ' O ' ' X' ' 37' ' ' ASN . . . 4.18 58.94 0.0 OUTLIER Glycine 0 CA--C 1.524 0.636 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.506 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 39' ' ' VAL . . . . . 0.716 HG23 ' O ' ' X' ' 37' ' ' ASN . 5.0 t -94.45 130.95 42.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.496 179.528 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -123.73 107.56 11.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.009 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . -160.47 -144.95 4.13 Favored Glycine 0 CA--C 1.517 0.193 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 42' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -101.54 139.54 37.06 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 178.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 43' ' ' TRP . . . . . 0.732 ' CE2' HG22 ' X' ' 54' ' ' VAL . 0.1 OUTLIER -109.85 139.54 44.81 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.949 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.87 166.77 20.16 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.711 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 45' ' ' TYR . . . . . 0.797 ' CD1' ' CE2' ' X' ' 52' ' ' PHE . 3.5 t80 -157.89 135.59 10.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.451 179.459 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 46' ' ' ASP . . . . . 0.588 ' N ' ' CD1' ' X' ' 45' ' ' TYR . 5.4 m-20 -121.55 118.88 30.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.544 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -77.07 -30.38 55.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.548 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.46 -33.34 42.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.735 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 49' ' ' THR . . . . . 0.483 ' C ' ' CG ' ' X' ' 50' ' ' LYS . 3.6 p -101.89 -0.26 34.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.703 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 50' ' ' LYS . . . . . 0.483 ' CG ' ' C ' ' X' ' 49' ' ' THR . 3.2 pttm 36.74 35.9 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.752 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 51' ' ' THR . . . . . . . . . . . . . 11.5 m -114.71 137.35 52.02 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.172 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 52' ' ' PHE . . . . . 0.797 ' CE2' ' CD1' ' X' ' 45' ' ' TYR . 81.3 m-85 -118.81 131.31 56.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.599 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 53' ' ' THR . . . . . 0.518 HG22 ' H ' ' X' ' 6' ' ' ILE . 39.9 p -146.91 159.78 43.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.673 -179.489 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 54' ' ' VAL . . . . . 0.732 HG22 ' CE2' ' X' ' 43' ' ' TRP . 1.7 t -127.06 128.32 70.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 179.345 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 55' ' ' THR . . . . . . . . . . . . . 2.8 m -125.24 129.26 49.7 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.385 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.451 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 1' ' ' MET . . . . . 0.748 ' N ' ' SD ' ' X' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 2' ' ' GLN . . . . . 0.666 ' OE1' ' N ' ' X' ' 1' ' ' MET . 0.0 OUTLIER -91.95 120.6 32.76 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.694 -179.705 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' X' X ' 3' ' ' TYR . . . . . 0.703 ' CZ ' ' O ' ' X' ' 1' ' ' MET . 0.0 OUTLIER -122.94 139.32 54.18 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.734 179.759 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' X' X ' 4' ' ' LYS . . . . . 0.416 ' H ' HG23 ' X' ' 51' ' ' THR . 25.1 tttt -118.14 140.01 50.41 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.039 179.565 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 5' ' ' LEU . . . . . 0.697 HD13 ' C ' ' X' ' 5' ' ' LEU . 2.8 tm? -114.75 111.7 21.67 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.085 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 6' ' ' ILE . . . . . 0.551 ' H ' HG22 ' X' ' 53' ' ' THR . 2.0 mm -115.6 130.5 70.12 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.292 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.819 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 7' ' ' LEU . . . . . 0.632 ' CD2' HG21 ' X' ' 39' ' ' VAL . 1.1 mp -113.78 130.56 56.43 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.485 179.32 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 8' ' ' ASN . . . . . 0.5 ' O ' ' O ' ' X' ' 12' ' ' LEU . 0.4 OUTLIER -124.82 -163.98 1.23 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.024 179.783 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . 134.38 -173.53 21.37 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.676 -0.969 . . . . 0.0 110.676 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 10' ' ' LYS . . . . . 0.464 ' HG2' ' H ' ' X' ' 11' ' ' THR . 0.0 OUTLIER -69.24 -56.13 8.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.842 0.354 . . . . 0.0 110.68 -179.843 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' X' X ' 11' ' ' THR . . . . . 0.464 ' H ' ' HG2' ' X' ' 10' ' ' LYS . 1.5 t -123.65 8.74 8.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.523 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 12' ' ' LEU . . . . . 0.524 HD13 ' C ' ' X' ' 12' ' ' LEU . 0.4 OUTLIER -115.53 106.03 13.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.076 -179.72 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' X' X ' 13' ' ' LYS . . . . . 0.512 ' N ' HD13 ' X' ' 12' ' ' LEU . 16.3 ttpp -130.76 139.34 50.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.627 178.516 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -159.58 147.37 14.54 Favored Glycine 0 CA--C 1.521 0.451 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -138.33 135.92 35.87 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 16' ' ' THR . . . . . 0.589 ' CG2' ' N ' ' X' ' 17' ' ' THR . 1.9 m -140.21 163.2 33.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.134 0.492 . . . . 0.0 111.248 -178.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 17' ' ' THR . . . . . 0.589 ' N ' ' CG2' ' X' ' 16' ' ' THR . 2.1 p -139.18 130.64 27.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.896 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 1.8 m -146.33 151.8 38.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.026 0.441 . . . . 0.0 111.069 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 19' ' ' GLU . . . . . 0.67 ' OE1' ' N ' ' X' ' 20' ' ' ALA . 0.4 OUTLIER -125.32 133.86 52.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.01 179.453 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' X' X ' 20' ' ' ALA . . . . . 0.67 ' N ' ' OE1' ' X' ' 19' ' ' GLU . . . -143.77 176.64 9.09 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.182 0.515 . . . . 0.0 111.219 -179.471 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 21' ' ' VAL . . . . . 0.47 HG13 ' N ' ' X' ' 22' ' ' ASP . 7.2 p -72.33 -36.98 57.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.1 179.352 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 22' ' ' ASP . . . . . 0.534 ' C ' ' OH ' ' X' ' 3' ' ' TYR . 2.4 p30 -152.88 170.82 19.41 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.291 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 23' ' ' ALA . . . . . 0.472 ' HA ' ' CE2' ' X' ' 3' ' ' TYR . . . -73.01 -30.01 63.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.723 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 24' ' ' ALA . . . . . 0.511 ' N ' ' OD1' ' X' ' 22' ' ' ASP . . . -55.63 -36.61 67.19 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 25' ' ' THR . . . . . 0.456 ' N ' ' OD1' ' X' ' 22' ' ' ASP . 0.1 OUTLIER -76.97 -44.62 30.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.114 178.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' X' X ' 26' ' ' ALA . . . . . 0.601 ' O ' ' CD2' ' X' ' 30' ' ' PHE . . . -61.09 -36.08 78.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.465 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 27' ' ' GLU . . . . . 0.555 ' O ' ' OE1' ' X' ' 27' ' ' GLU . 0.0 OUTLIER -53.96 -41.3 67.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.452 -179.626 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' X' X ' 28' ' ' LYS . . . . . 0.464 ' N ' ' HG3' ' X' ' 27' ' ' GLU . 0.0 OUTLIER -74.14 -40.88 62.32 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.351 -179.7 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 79.5 t -71.99 -55.26 14.02 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 N-CA-C 113.48 0.919 . . . . 0.0 113.48 -178.066 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 30' ' ' PHE . . . . . 0.601 ' CD2' ' O ' ' X' ' 26' ' ' ALA . 3.5 p90 -74.48 -31.71 62.3 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 120.046 -0.661 . . . . 0.0 112.631 -177.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 31' ' ' LYS . . . . . 0.543 ' NZ ' ' CE3' ' X' ' 43' ' ' TRP . 10.9 tppt? -55.97 -29.94 61.0 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 119.85 -0.74 . . . . 0.0 109.108 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -61.88 -29.51 70.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.744 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 33' ' ' TYR . . . . . 0.402 ' CE1' HD22 ' X' ' 7' ' ' LEU . 5.3 t80 -57.58 -46.56 83.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 -179.183 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.26 -47.14 77.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.946 0.403 . . . . 0.0 110.212 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 45.9 t-20 -64.21 -41.25 97.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.458 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -66.72 -30.45 70.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.129 0.49 . . . . 0.0 109.949 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 37' ' ' ASN . . . . . 0.971 ' O ' HG23 ' X' ' 39' ' ' VAL . 3.1 m120 -110.98 53.31 0.71 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 179.457 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 38' ' ' GLY . . . . . 0.586 ' C ' ' O ' ' X' ' 37' ' ' ASN . . . 3.9 59.27 0.0 OUTLIER Glycine 0 CA--C 1.524 0.599 0 CA-C-N 115.868 -0.605 . . . . 0.0 112.141 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 39' ' ' VAL . . . . . 0.971 HG23 ' O ' ' X' ' 37' ' ' ASN . 56.0 t -95.38 129.69 45.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.967 0.413 . . . . 0.0 110.717 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -125.26 107.36 10.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.124 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . -157.52 -151.74 6.12 Favored Glycine 0 CA--C 1.519 0.298 0 N-CA-C 111.089 -0.805 . . . . 0.0 111.089 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 42' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -102.37 138.08 39.78 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 179.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 43' ' ' TRP . . . . . 0.686 ' CE2' HG22 ' X' ' 54' ' ' VAL . 0.7 OUTLIER -113.0 141.44 46.84 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.577 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.36 155.53 45.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.956 179.341 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 45' ' ' TYR . . . . . 0.706 ' CD1' ' CE2' ' X' ' 52' ' ' PHE . 1.5 t80 -141.29 127.41 19.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.962 0.411 . . . . 0.0 110.911 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 46' ' ' ASP . . . . . 0.572 ' N ' ' CD1' ' X' ' 45' ' ' TYR . 1.4 m-20 -116.91 122.51 44.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.237 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 47' ' ' ASP . . . . . 0.605 ' OD1' ' N ' ' X' ' 48' ' ' ALA . 6.1 p30 -76.45 -28.67 56.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.829 -179.626 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 48' ' ' ALA . . . . . 0.605 ' N ' ' OD1' ' X' ' 47' ' ' ASP . . . -74.73 -32.32 62.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.786 -179.511 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 49' ' ' THR . . . . . . . . . . . . . 3.0 p -110.19 -3.93 16.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.699 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 50' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' X' ' 46' ' ' ASP . 0.0 OUTLIER 40.84 41.43 1.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.271 -179.784 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' X' X ' 51' ' ' THR . . . . . 0.416 HG23 ' H ' ' X' ' 4' ' ' LYS . 99.5 m -118.1 134.61 54.83 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.847 0.356 . . . . 0.0 111.074 -179.423 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 52' ' ' PHE . . . . . 0.706 ' CE2' ' CD1' ' X' ' 45' ' ' TYR . 38.7 m-85 -118.62 132.04 56.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.144 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 53' ' ' THR . . . . . 0.551 HG22 ' H ' ' X' ' 6' ' ' ILE . 57.2 p -143.41 155.79 44.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.541 -179.745 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 54' ' ' VAL . . . . . 0.686 HG22 ' CE2' ' X' ' 43' ' ' TRP . 0.6 OUTLIER -129.54 126.62 63.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.862 0.363 . . . . 0.0 110.438 179.653 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' X' X ' 55' ' ' THR . . . . . 0.494 HG23 ' CB ' ' X' ' 8' ' ' ASN . 2.9 m -125.36 131.32 53.0 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.069 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.621 -179.805 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' X' X ' 1' ' ' MET . . . . . 0.708 ' O ' ' CZ ' ' X' ' 3' ' ' TYR . 4.7 ptm . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 2' ' ' GLN . . . . . 0.635 ' NE2' ' O ' ' X' ' 2' ' ' GLN . 1.4 pm0 -92.7 131.77 37.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.801 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 3' ' ' TYR . . . . . 0.731 ' CD1' ' N ' ' X' ' 3' ' ' TYR . 0.0 OUTLIER -125.24 150.94 46.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.141 179.757 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' X' X ' 4' ' ' LYS . . . . . 0.437 ' O ' HG23 ' X' ' 51' ' ' THR . 20.5 ttpt -118.91 139.47 51.59 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.77 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 5' ' ' LEU . . . . . 0.803 HD13 ' C ' ' X' ' 5' ' ' LEU . 2.6 tm? -114.43 117.6 31.46 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.371 179.279 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 6' ' ' ILE . . . . . 0.503 ' O ' HG23 ' X' ' 53' ' ' THR . 2.0 mm -115.69 134.17 59.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 -179.597 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 7' ' ' LEU . . . . . 0.787 HD21 HD11 ' X' ' 5' ' ' LEU . 26.2 mt -113.02 122.15 46.75 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.446 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 8' ' ' ASN . . . . . 0.714 ' HB2' HG23 ' X' ' 55' ' ' THR . 5.4 m-20 -124.84 -164.51 1.28 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.773 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.88 178.03 15.33 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 10' ' ' LYS . . . . . 0.4 ' HG2' ' H ' ' X' ' 10' ' ' LYS . 7.2 pttp -67.86 -48.78 65.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.717 -0.242 . . . . 0.0 111.193 -179.545 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 11' ' ' THR . . . . . . . . . . . . . 64.0 p -123.61 12.89 9.32 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.1 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 12' ' ' LEU . . . . . 0.634 HD13 ' C ' ' X' ' 12' ' ' LEU . 0.6 OUTLIER -132.13 107.41 8.61 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.112 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' X' X ' 13' ' ' LYS . . . . . 0.627 ' N ' HD13 ' X' ' 12' ' ' LEU . 6.5 ttpm? -135.45 140.23 44.71 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.261 178.726 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -160.54 168.05 35.91 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -137.09 136.19 38.13 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 179.204 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 16' ' ' THR . . . . . 0.42 HG21 ' CE2' ' X' ' 33' ' ' TYR . 1.4 m -140.52 161.71 37.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.15 0.5 . . . . 0.0 111.673 -178.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 26.2 p -141.58 130.56 23.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.398 179.028 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -146.96 148.51 31.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.206 0.527 . . . . 0.0 111.733 -179.057 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.98 135.56 50.09 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.724 179.252 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 20' ' ' ALA . . . . . 0.594 ' HB3' ' CE1' ' X' ' 3' ' ' TYR . . . -144.75 176.46 9.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.286 0.565 . . . . 0.0 111.632 -179.572 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 21' ' ' VAL . . . . . . . . . . . . . 98.2 t -72.4 -38.8 61.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.932 179.297 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 22' ' ' ASP . . . . . 0.702 ' OD1' ' HB3' ' X' ' 24' ' ' ALA . 2.5 p30 -153.44 167.73 28.45 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.064 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 23' ' ' ALA . . . . . 0.578 ' O ' ' N ' ' X' ' 27' ' ' GLU . . . -70.35 -30.13 66.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.478 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 24' ' ' ALA . . . . . 0.702 ' HB3' ' OD1' ' X' ' 22' ' ' ASP . . . -56.64 -36.14 69.16 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 179.591 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 25' ' ' THR . . . . . 0.498 ' OG1' ' O ' ' X' ' 22' ' ' ASP . 3.3 p -76.84 -47.31 21.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.964 178.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 26' ' ' ALA . . . . . 0.419 ' O ' ' CD1' ' X' ' 30' ' ' PHE . . . -68.12 -38.1 81.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.442 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 27' ' ' GLU . . . . . 0.578 ' N ' ' O ' ' X' ' 23' ' ' ALA . 12.3 tt0 -54.99 -42.82 72.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 -179.426 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.56 -42.82 70.62 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.253 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 25.2 t -70.02 -39.47 77.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.695 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 30' ' ' PHE . . . . . 0.469 ' CE2' ' HB2' ' X' ' 5' ' ' LEU . 3.3 m-85 -62.51 -45.48 92.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.176 -179.334 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 31' ' ' LYS . . . . . 0.472 ' CG ' ' O ' ' X' ' 27' ' ' GLU . 13.9 mmtt -58.79 -30.75 67.82 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 32' ' ' GLN . . . . . 0.574 ' OE1' ' N ' ' X' ' 33' ' ' TYR . 0.4 OUTLIER -68.65 -32.1 71.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.987 179.329 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' X' X ' 33' ' ' TYR . . . . . 0.574 ' N ' ' OE1' ' X' ' 32' ' ' GLN . 2.1 t80 -59.3 -46.26 89.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.038 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 34' ' ' ALA . . . . . 0.463 ' HB2' ' CH2' ' X' ' 43' ' ' TRP . . . -67.71 -47.21 70.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.018 179.646 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -62.54 -43.22 99.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.724 179.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -65.72 -29.74 70.31 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.171 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 37' ' ' ASN . . . . . 0.925 ' O ' HG23 ' X' ' 39' ' ' VAL . 7.5 m-80 -113.5 52.98 0.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 179.16 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 38' ' ' GLY . . . . . 0.592 ' C ' ' O ' ' X' ' 37' ' ' ASN . . . 3.91 61.4 0.0 OUTLIER Glycine 0 CA--C 1.525 0.677 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.066 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 39' ' ' VAL . . . . . 0.925 HG23 ' O ' ' X' ' 37' ' ' ASN . 55.6 t -95.52 110.37 24.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.834 -0.347 . . . . 0.0 110.924 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -111.91 106.27 14.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.102 179.313 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . -158.62 -151.03 5.95 Favored Glycine 0 CA--C 1.519 0.289 0 N-CA-C 110.861 -0.895 . . . . 0.0 110.861 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 42' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -102.62 136.16 42.95 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 43' ' ' TRP . . . . . 0.587 ' CE2' HG22 ' X' ' 54' ' ' VAL . 0.6 OUTLIER -111.94 141.62 45.36 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.543 -179.907 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 6.6 t -126.53 151.19 48.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.367 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 45' ' ' TYR . . . . . 0.527 ' CE2' ' CE1' ' X' ' 52' ' ' PHE . 18.9 t80 -128.89 122.85 31.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.44 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 46' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' X' ' 50' ' ' LYS . 5.8 m-20 -120.17 118.6 30.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.454 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -76.32 -30.4 57.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.484 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.03 -32.4 61.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.6 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 49' ' ' THR . . . . . 0.465 ' O ' ' C ' ' X' ' 50' ' ' LYS . 0.2 OUTLIER -107.86 -3.34 19.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.408 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' X' X ' 50' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' X' ' 49' ' ' THR . 1.7 ptpp? 34.82 38.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.561 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 51' ' ' THR . . . . . 0.437 HG23 ' O ' ' X' ' 4' ' ' LYS . 7.0 m -120.91 137.6 54.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.607 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 52' ' ' PHE . . . . . 0.576 ' HB3' ' HE1' ' X' ' 43' ' ' TRP . 3.2 m-85 -119.63 133.18 55.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.541 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 53' ' ' THR . . . . . 0.503 HG23 ' O ' ' X' ' 6' ' ' ILE . 3.4 m -140.33 151.27 44.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.002 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 54' ' ' VAL . . . . . 0.587 HG22 ' CE2' ' X' ' 43' ' ' TRP . 0.0 OUTLIER -130.1 126.83 62.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.949 0.404 . . . . 0.0 110.811 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' X' X ' 55' ' ' THR . . . . . 0.714 HG23 ' HB2' ' X' ' 8' ' ' ASN . 11.2 m -126.1 133.31 51.69 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.15 179.643 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 56' ' ' GLU . . . . . 0.413 ' HG3' ' H ' ' X' ' 56' ' ' GLU . 3.9 mt-10 . . . . . 0 C--N 1.325 -0.499 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.505 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 1' ' ' MET . . . . . 0.719 ' N ' ' SD ' ' X' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 2' ' ' GLN . . . . . 0.736 ' CD ' ' H ' ' X' ' 2' ' ' GLN . 3.4 pm0 -91.78 136.5 33.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.462 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 3' ' ' TYR . . . . . 0.698 ' CZ ' ' O ' ' X' ' 1' ' ' MET . 0.0 OUTLIER -125.65 153.4 43.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.033 179.694 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' X' X ' 4' ' ' LYS . . . . . 0.473 ' O ' ' O ' ' X' ' 52' ' ' PHE . 9.2 ttpp -118.56 142.35 47.7 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.601 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 5' ' ' LEU . . . . . 0.465 HD22 ' CD1' ' X' ' 7' ' ' LEU . 0.2 OUTLIER -111.7 119.18 37.76 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.841 179.666 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' X' X ' 6' ' ' ILE . . . . . 0.534 ' C ' HD12 ' X' ' 7' ' ' LEU . 2.5 mm -115.46 129.68 71.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.652 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 7' ' ' LEU . . . . . 0.534 HD12 ' C ' ' X' ' 6' ' ' ILE . 6.6 mp -113.3 130.69 56.19 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.253 179.393 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 8' ' ' ASN . . . . . 0.518 ' C ' ' O ' ' X' ' 12' ' ' LEU . 0.7 OUTLIER -131.68 -162.44 1.23 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.571 -179.449 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . 135.34 -174.16 21.36 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.587 -1.005 . . . . 0.0 110.587 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 10' ' ' LYS . . . . . 0.707 ' H ' ' CE ' ' X' ' 10' ' ' LYS . 0.0 OUTLIER -76.05 -46.95 26.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.699 0.285 . . . . 0.0 110.824 -179.63 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' X' X ' 11' ' ' THR . . . . . . . . . . . . . 33.8 p -125.06 18.78 8.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.647 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 12' ' ' LEU . . . . . 0.518 ' O ' ' C ' ' X' ' 8' ' ' ASN . 11.3 tp -135.21 116.91 14.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.431 -179.469 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.4 139.11 33.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.459 178.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -163.79 154.41 25.29 Favored Glycine 0 CA--C 1.521 0.409 0 N-CA-C 110.462 -1.055 . . . . 0.0 110.462 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -129.95 137.52 50.37 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.09 160.45 39.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.116 0.484 . . . . 0.0 111.53 -179.007 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -142.26 130.99 22.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.474 179.173 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 1.2 m -142.21 152.09 42.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.0 0.428 . . . . 0.0 111.11 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -122.57 136.77 54.97 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.353 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 20' ' ' ALA . . . . . 0.543 ' HB3' ' CE1' ' X' ' 3' ' ' TYR . . . -146.68 177.15 9.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.734 -179.649 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 21' ' ' VAL . . . . . 0.504 HG13 ' N ' ' X' ' 22' ' ' ASP . 7.4 p -70.86 -38.88 74.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.638 178.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 22' ' ' ASP . . . . . 0.557 ' OD1' ' N ' ' X' ' 24' ' ' ALA . 2.4 p30 -155.7 169.62 23.92 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.006 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 23' ' ' ALA . . . . . 0.677 ' O ' ' N ' ' X' ' 27' ' ' GLU . . . -71.76 -29.58 64.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.461 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 24' ' ' ALA . . . . . 0.557 ' N ' ' OD1' ' X' ' 22' ' ' ASP . . . -56.62 -38.98 72.84 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 179.59 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 25' ' ' THR . . . . . 0.453 ' N ' ' OD1' ' X' ' 22' ' ' ASP . 20.3 p -77.73 -47.63 18.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.192 179.047 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 26' ' ' ALA . . . . . 0.708 ' HB1' ' CE2' ' X' ' 30' ' ' PHE . . . -68.42 -38.22 81.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.807 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 27' ' ' GLU . . . . . 0.677 ' N ' ' O ' ' X' ' 23' ' ' ALA . 69.5 tt0 -54.45 -42.73 70.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.819 -179.309 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.6 -37.89 80.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.879 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 25.5 t -69.85 -39.56 77.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.784 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 30' ' ' PHE . . . . . 0.708 ' CE2' ' HB1' ' X' ' 26' ' ' ALA . 32.3 m-85 -65.08 -44.13 89.9 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.05 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 8.1 mmtp -57.34 -30.59 64.94 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -67.92 -30.99 70.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.604 178.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -59.67 -46.49 88.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.188 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.01 -45.08 86.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.942 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.54 -41.27 80.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.273 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -64.03 -30.26 71.35 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 37' ' ' ASN . . . . . 0.984 ' O ' HG23 ' X' ' 39' ' ' VAL . 25.7 m120 -114.29 53.03 0.81 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.274 -0.876 . . . . 0.0 108.692 179.125 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 38' ' ' GLY . . . . . 0.572 ' C ' ' O ' ' X' ' 37' ' ' ASN . . . 2.95 60.28 0.0 OUTLIER Glycine 0 CA--C 1.524 0.625 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.18 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 39' ' ' VAL . . . . . 0.984 HG23 ' O ' ' X' ' 37' ' ' ASN . 51.9 t -95.51 123.45 47.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.022 0.439 . . . . 0.0 110.788 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -118.27 107.67 14.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.006 179.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . -160.24 -145.6 4.33 Favored Glycine 0 CA--C 1.517 0.192 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 42' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' X' ' 55' ' ' THR . 0.3 OUTLIER -101.09 137.54 39.31 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.811 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' X' X ' 43' ' ' TRP . . . . . 0.452 ' CE2' ' HB ' ' X' ' 54' ' ' VAL . 2.1 m95 -111.34 141.17 45.23 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.43 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -135.07 165.79 24.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.355 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 45' ' ' TYR . . . . . 0.56 ' CD1' ' CZ ' ' X' ' 52' ' ' PHE . 4.6 t80 -156.19 133.62 10.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.544 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 46' ' ' ASP . . . . . 0.506 ' N ' ' CD1' ' X' ' 45' ' ' TYR . 3.8 m-20 -121.05 121.28 37.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.577 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 47' ' ' ASP . . . . . 0.508 ' N ' ' OD1' ' X' ' 47' ' ' ASP . 10.6 p30 -77.34 -31.37 54.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.447 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.16 -32.89 44.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.668 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 49' ' ' THR . . . . . 0.47 ' O ' ' C ' ' X' ' 50' ' ' LYS . 0.2 OUTLIER -101.93 -0.96 33.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.795 -179.912 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' X' X ' 50' ' ' LYS . . . . . 0.624 ' HE3' HE22 ' X' ' 2' ' ' GLN . 5.4 pttm 34.84 43.29 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.526 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 51' ' ' THR . . . . . . . . . . . . . 98.1 m -120.46 137.13 54.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.497 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 52' ' ' PHE . . . . . 0.56 ' CZ ' ' CD1' ' X' ' 45' ' ' TYR . 17.3 m-85 -115.81 131.21 57.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.228 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 53' ' ' THR . . . . . 0.437 ' CG2' ' N ' ' X' ' 54' ' ' VAL . 3.0 m -144.54 154.87 43.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.829 -179.548 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 54' ' ' VAL . . . . . 0.452 ' HB ' ' CE2' ' X' ' 43' ' ' TRP . 1.6 p -133.09 124.13 49.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.1 179.24 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 55' ' ' THR . . . . . 0.444 ' O ' ' N ' ' X' ' 42' ' ' GLU . 0.3 OUTLIER -125.98 136.71 53.31 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 179.72 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' X' X ' 56' ' ' GLU . . . . . 0.409 ' HG3' ' H ' ' X' ' 56' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--N 1.32 -0.679 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.507 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 1' ' ' MET . . . . . 0.697 ' O ' ' CZ ' ' X' ' 3' ' ' TYR . 2.9 ppp? . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 2' ' ' GLN . . . . . 0.667 ' CD ' ' H ' ' X' ' 2' ' ' GLN . 0.0 OUTLIER -92.56 132.37 36.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.101 -179.572 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' X' X ' 3' ' ' TYR . . . . . 0.697 ' CZ ' ' O ' ' X' ' 1' ' ' MET . 0.0 OUTLIER -125.82 151.03 47.33 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.525 179.608 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -119.72 143.56 47.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.57 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 5' ' ' LEU . . . . . 0.475 HD12 ' HD1' ' X' ' 30' ' ' PHE . 0.1 OUTLIER -119.3 123.31 43.91 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.157 179.803 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' X' X ' 6' ' ' ILE . . . . . 0.719 ' C ' HD22 ' X' ' 7' ' ' LEU . 1.7 mm -116.15 133.93 61.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.185 179.366 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 7' ' ' LEU . . . . . 0.762 HD12 HG21 ' X' ' 39' ' ' VAL . 4.4 mm? -112.65 128.33 56.36 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.033 0.444 . . . . 0.0 110.527 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 8' ' ' ASN . . . . . 0.423 ' HB3' HG23 ' X' ' 55' ' ' THR . 14.0 t30 -133.67 -162.55 1.26 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.315 -179.489 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . 135.28 -158.23 23.53 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 10' ' ' LYS . . . . . 0.454 ' NZ ' ' O ' ' X' ' 56' ' ' GLU . 19.8 mmtt -70.54 -65.86 0.68 Allowed 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 121.583 0.706 . . . . 0.0 110.18 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 11' ' ' THR . . . . . 0.819 HG22 ' O ' ' X' ' 11' ' ' THR . 5.0 m -128.17 22.99 6.08 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 114.467 -1.242 . . . . 0.0 110.198 -178.472 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 12' ' ' LEU . . . . . 0.65 HD13 ' C ' ' X' ' 12' ' ' LEU . 1.0 OUTLIER -122.82 106.72 11.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.437 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' X' X ' 13' ' ' LYS . . . . . 0.574 ' N ' HD13 ' X' ' 12' ' ' LEU . 0.2 OUTLIER -131.57 139.56 49.24 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.976 0.417 . . . . 0.0 110.51 179.32 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' X' X ' 14' ' ' GLY . . . . . 0.497 ' O ' ' N ' ' X' ' 7' ' ' LEU . . . -158.93 149.92 20.23 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 110.614 -0.995 . . . . 0.0 110.614 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -130.1 136.4 49.28 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 16' ' ' THR . . . . . 0.609 ' HG1' ' HH ' ' X' ' 33' ' ' TYR . 1.8 m -140.32 159.12 42.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.041 0.448 . . . . 0.0 111.229 -179.067 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 17' ' ' THR . . . . . 0.533 ' N ' ' CG2' ' X' ' 16' ' ' THR . 9.8 t -142.31 130.7 22.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.77 179.197 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 1.9 m -145.4 152.56 40.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.938 0.399 . . . . 0.0 111.012 -179.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -124.36 135.2 53.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.325 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 20' ' ' ALA . . . . . 0.491 ' HB3' ' HH ' ' X' ' 3' ' ' TYR . . . -140.35 178.09 7.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.024 -179.522 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 21' ' ' VAL . . . . . . . . . . . . . 45.7 t -70.07 -38.8 76.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.406 178.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 22' ' ' ASP . . . . . 0.564 ' C ' ' OH ' ' X' ' 3' ' ' TYR . 53.1 p30 -155.6 172.33 18.46 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.998 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 23' ' ' ALA . . . . . 0.66 ' O ' ' N ' ' X' ' 27' ' ' GLU . . . -73.17 -30.54 63.64 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.742 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.29 -39.6 72.95 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 25' ' ' THR . . . . . 0.401 ' H ' ' HG1' ' X' ' 25' ' ' THR . 36.3 p -78.6 -47.02 17.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.276 178.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 26' ' ' ALA . . . . . 0.593 ' HB1' ' CE2' ' X' ' 30' ' ' PHE . . . -67.81 -37.6 82.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.726 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 27' ' ' GLU . . . . . 0.66 ' N ' ' O ' ' X' ' 23' ' ' ALA . 68.5 tt0 -54.01 -42.28 68.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.854 -179.319 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 28' ' ' LYS . . . . . 0.41 ' HD2' ' N ' ' X' ' 28' ' ' LYS . 0.0 OUTLIER -65.18 -38.2 89.75 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.177 179.823 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 61.6 t -69.88 -39.33 77.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.812 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 30' ' ' PHE . . . . . 0.593 ' CE2' ' HB1' ' X' ' 26' ' ' ALA . 38.8 m-85 -66.19 -42.93 88.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.114 -179.506 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 31' ' ' LYS . . . . . 0.454 ' CG ' ' O ' ' X' ' 27' ' ' GLU . 0.1 OUTLIER -56.81 -32.09 65.36 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -67.49 -30.22 69.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.884 178.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 33' ' ' TYR . . . . . 0.609 ' HH ' ' HG1' ' X' ' 16' ' ' THR . 3.6 t80 -58.28 -46.59 85.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.313 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 34' ' ' ALA . . . . . 0.449 ' HB2' ' HZ2' ' X' ' 43' ' ' TRP . . . -63.5 -45.45 90.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.119 179.612 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -68.01 -40.99 82.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.362 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -66.25 -31.03 71.6 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.145 0.497 . . . . 0.0 109.973 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 37' ' ' ASN . . . . . 0.944 ' O ' HG23 ' X' ' 39' ' ' VAL . 25.6 m120 -111.32 53.35 0.71 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.535 -0.757 . . . . 0.0 108.972 179.426 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 38' ' ' GLY . . . . . 0.593 ' C ' ' O ' ' X' ' 37' ' ' ASN . . . 3.55 58.8 0.0 OUTLIER Glycine 0 CA--C 1.524 0.626 0 O-C-N 123.694 0.622 . . . . 0.0 112.237 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 39' ' ' VAL . . . . . 0.944 HG23 ' O ' ' X' ' 37' ' ' ASN . 39.9 t -96.71 131.96 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.863 0.363 . . . . 0.0 110.829 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -125.72 106.65 9.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.077 179.233 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . -160.41 -146.97 4.77 Favored Glycine 0 CA--C 1.516 0.138 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 42' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -101.92 140.57 36.02 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 178.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 43' ' ' TRP . . . . . 0.449 ' HZ2' ' HB2' ' X' ' 34' ' ' ALA . 9.0 m95 -112.33 142.33 44.97 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.089 0.471 . . . . 0.0 110.686 -179.676 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.83 170.01 16.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.203 179.67 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 45' ' ' TYR . . . . . 0.702 ' CE2' ' CZ ' ' X' ' 52' ' ' PHE . 21.6 t80 -151.75 131.34 13.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.639 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -122.73 114.24 20.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.521 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 47' ' ' ASP . . . . . 0.608 ' O ' ' CE ' ' X' ' 50' ' ' LYS . 0.7 OUTLIER -77.18 -29.57 54.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.737 -179.793 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.56 -33.27 47.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.109 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 49' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.76 -3.29 17.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.936 -179.59 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 50' ' ' LYS . . . . . 0.608 ' CE ' ' O ' ' X' ' 47' ' ' ASP . 27.5 mmtp 43.5 33.5 0.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.22 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 51' ' ' THR . . . . . 0.464 ' C ' ' CD1' ' X' ' 52' ' ' PHE . 82.7 m -113.97 117.7 32.08 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.848 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 52' ' ' PHE . . . . . 0.702 ' CZ ' ' CE2' ' X' ' 45' ' ' TYR . 0.6 OUTLIER -117.64 132.22 56.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.168 179.606 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' X' X ' 53' ' ' THR . . . . . . . . . . . . . 41.2 p -144.71 158.34 43.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.554 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 54' ' ' VAL . . . . . . . . . . . . . 2.4 p -127.39 126.44 67.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 179.226 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 55' ' ' THR . . . . . 0.423 HG23 ' HB3' ' X' ' 8' ' ' ASN . 4.5 m -125.23 131.19 53.18 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 56' ' ' GLU . . . . . 0.454 ' O ' ' NZ ' ' X' ' 10' ' ' LYS . 2.2 mt-10 . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.642 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 1' ' ' MET . . . . . 0.687 ' O ' ' CZ ' ' X' ' 3' ' ' TYR . 5.3 ptm . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 2' ' ' GLN . . . . . 0.417 ' H ' ' HG3' ' X' ' 2' ' ' GLN . 0.9 OUTLIER -92.32 135.53 33.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.682 -179.834 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' X' X ' 3' ' ' TYR . . . . . 0.687 ' CZ ' ' O ' ' X' ' 1' ' ' MET . 0.0 OUTLIER -123.48 149.12 45.52 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.33 179.753 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 8.1 tttp -118.86 143.27 47.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.339 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 5' ' ' LEU . . . . . 0.657 ' C ' HD12 ' X' ' 6' ' ' ILE . 0.2 OUTLIER -117.22 120.78 39.3 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.249 -179.907 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' X' X ' 6' ' ' ILE . . . . . 0.657 HD12 ' C ' ' X' ' 5' ' ' LEU . 1.8 mp -115.69 132.77 64.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.16 179.139 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 7' ' ' LEU . . . . . 0.58 HD22 ' C ' ' X' ' 6' ' ' ILE . 4.5 mm? -112.94 131.58 55.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.606 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 8' ' ' ASN . . . . . 0.472 ' CB ' HG23 ' X' ' 55' ' ' THR . 0.9 OUTLIER -131.42 -168.48 2.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.17 179.893 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . 128.72 -161.74 22.34 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 10' ' ' LYS . . . . . 0.427 ' CD ' ' H ' ' X' ' 10' ' ' LYS . 0.0 OUTLIER -66.76 -77.93 0.06 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.948 0.404 . . . . 0.0 110.12 179.684 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' X' X ' 11' ' ' THR . . . . . 0.44 ' O ' ' OG1' ' X' ' 11' ' ' THR . 0.7 OUTLIER -113.02 21.31 15.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.386 179.692 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' X' X ' 12' ' ' LEU . . . . . 0.636 HD13 ' C ' ' X' ' 12' ' ' LEU . 0.5 OUTLIER -116.52 100.32 7.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.032 -179.91 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' X' X ' 13' ' ' LYS . . . . . 0.498 ' N ' HD13 ' X' ' 12' ' ' LEU . 8.0 ttmt -132.96 139.24 47.2 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.039 178.727 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -159.53 165.51 34.5 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -137.27 137.64 39.24 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.09 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.92 160.28 39.09 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.436 -0.506 . . . . 0.0 111.811 -178.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 76.2 p -142.81 129.54 20.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.084 179.011 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.79 150.56 35.55 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.236 -0.585 . . . . 0.0 111.781 -179.002 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -128.1 127.16 42.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.041 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 20' ' ' ALA . . . . . 0.513 ' HB3' ' HH ' ' X' ' 3' ' ' TYR . . . -141.99 178.64 7.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.11 0.481 . . . . 0.0 111.173 -179.383 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 21' ' ' VAL . . . . . . . . . . . . . 58.5 t -69.53 -39.26 78.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.359 178.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 22' ' ' ASP . . . . . 0.548 ' C ' ' OH ' ' X' ' 3' ' ' TYR . 13.4 p30 -155.62 171.73 19.46 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.959 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 23' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' X' ' 27' ' ' GLU . . . -72.61 -30.68 64.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.601 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.65 -36.69 69.81 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 25' ' ' THR . . . . . 0.53 ' O ' ' CG1' ' X' ' 29' ' ' VAL . 37.8 p -76.44 -44.86 33.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.459 178.709 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.3 -38.96 82.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.022 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 27' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' X' ' 23' ' ' ALA . 35.6 tt0 -54.6 -48.54 72.04 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -178.482 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -60.42 -47.5 85.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.941 0.4 . . . . 0.0 110.727 -179.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 29' ' ' VAL . . . . . 0.53 ' CG1' ' O ' ' X' ' 25' ' ' THR . 0.5 OUTLIER -70.26 -35.68 64.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.596 179.54 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' X' X ' 30' ' ' PHE . . . . . 0.5 ' CD2' ' HG ' ' X' ' 5' ' ' LEU . 0.9 OUTLIER -58.62 -45.09 89.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.61 -179.78 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -57.5 -29.15 64.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.761 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 32' ' ' GLN . . . . . 0.515 ' O ' ' N ' ' X' ' 36' ' ' ASP . 4.0 tt0 -66.93 -31.08 71.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.087 179.081 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -58.83 -46.41 87.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.055 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.19 -45.99 62.24 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -61.09 -43.87 98.22 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.498 179.011 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 36' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' X' ' 32' ' ' GLN . 11.1 t70 -66.35 -29.44 69.63 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 37' ' ' ASN . . . . . 0.769 ' O ' HG23 ' X' ' 39' ' ' VAL . 0.1 OUTLIER -112.21 52.21 0.78 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 179.005 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' X' X ' 38' ' ' GLY . . . . . 0.567 ' C ' ' O ' ' X' ' 37' ' ' ASN . . . 2.92 58.45 0.0 OUTLIER Glycine 0 CA--C 1.527 0.826 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.555 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 39' ' ' VAL . . . . . 0.769 HG23 ' O ' ' X' ' 37' ' ' ASN . 6.5 t -95.77 124.46 48.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -120.39 107.21 12.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.018 179.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . -158.35 -150.47 5.78 Favored Glycine 0 CA--C 1.517 0.208 0 N-CA-C 111.442 -0.663 . . . . 0.0 111.442 -179.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 42' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -102.59 141.24 35.73 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.004 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 43' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -115.52 148.65 39.26 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.843 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 2.0 t -139.29 160.3 40.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.256 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 45' ' ' TYR . . . . . 0.739 ' CD1' ' CZ ' ' X' ' 52' ' ' PHE . 6.2 t80 -147.06 132.57 18.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.999 0.428 . . . . 0.0 110.857 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 46' ' ' ASP . . . . . 0.468 ' N ' ' CD1' ' X' ' 45' ' ' TYR . 37.3 m-20 -122.87 119.81 31.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.287 179.692 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.9 -27.75 60.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.613 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.12 -31.02 62.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.421 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 49' ' ' THR . . . . . 0.455 ' OG1' ' CB ' ' X' ' 46' ' ' ASP . 13.2 p -109.31 -2.8 17.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.778 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 50' ' ' LYS . . . . . 0.564 ' CD ' ' H2 ' ' X' ' 1' ' ' MET . 0.6 OUTLIER 37.65 48.34 0.92 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.016 -179.838 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' X' X ' 51' ' ' THR . . . . . . . . . . . . . 4.8 m -129.06 146.49 51.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.661 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 52' ' ' PHE . . . . . 0.739 ' CZ ' ' CD1' ' X' ' 45' ' ' TYR . 21.0 m-85 -122.56 131.42 53.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.673 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 53' ' ' THR . . . . . . . . . . . . . 4.5 m -141.43 151.49 43.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.291 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 54' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -129.9 129.2 65.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.897 0.38 . . . . 0.0 110.278 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 55' ' ' THR . . . . . 0.472 HG23 ' CB ' ' X' ' 8' ' ' ASN . 6.1 m -125.08 131.66 53.28 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.199 179.751 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.955 -1.021 . . . . 0.0 110.608 -179.845 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' X' X ' 1' ' ' MET . . . . . 0.696 ' O ' ' CZ ' ' X' ' 3' ' ' TYR . 2.4 ptp . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 2' ' ' GLN . . . . . 0.73 ' CD ' ' H ' ' X' ' 2' ' ' GLN . 1.4 pm0 -92.04 127.59 37.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.995 0.426 . . . . 0.0 110.774 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 3' ' ' TYR . . . . . 0.707 ' CD1' ' N ' ' X' ' 3' ' ' TYR . 0.0 OUTLIER -125.55 151.84 45.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.264 179.844 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 10.5 ptpp? -118.35 141.53 48.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.136 0.493 . . . . 0.0 110.498 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 5' ' ' LEU . . . . . 0.75 HD13 ' C ' ' X' ' 5' ' ' LEU . 2.2 tm? -118.11 108.97 15.84 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.074 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 6' ' ' ILE . . . . . 0.49 ' N ' HD22 ' X' ' 5' ' ' LEU . 0.0 OUTLIER -116.17 133.62 62.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.085 179.901 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' X' X ' 7' ' ' LEU . . . . . 0.445 HD13 HG21 ' X' ' 39' ' ' VAL . 17.3 mt -110.14 130.73 55.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.842 0.353 . . . . 0.0 110.081 179.518 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -125.12 -163.97 1.24 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.376 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . 134.3 -160.24 24.09 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 10' ' ' LYS . . . . . 0.411 ' H ' ' HD2' ' X' ' 10' ' ' LYS . 1.6 mptt -61.77 -81.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.977 0.417 . . . . 0.0 110.666 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 11' ' ' THR . . . . . 0.405 ' H ' ' HB2' ' X' ' 10' ' ' LYS . 3.6 t -110.55 18.5 19.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.078 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 tp -112.38 112.38 23.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.776 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -134.87 139.7 45.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.597 179.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -162.0 145.8 11.24 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 15' ' ' GLU . . . . . 0.638 ' OE1' ' N ' ' X' ' 15' ' ' GLU . 0.0 OUTLIER -132.78 134.98 45.4 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 178.896 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -141.3 159.64 41.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.22 0.533 . . . . 0.0 111.675 -178.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.09 132.36 20.57 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.319 179.016 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.41 152.39 40.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.819 -179.703 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -118.84 126.86 52.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.133 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 20' ' ' ALA . . . . . . . . . . . . . . . -137.07 177.48 7.83 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.193 0.52 . . . . 0.0 111.224 -179.303 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 21' ' ' VAL . . . . . . . . . . . . . 6.5 t -72.41 -37.24 57.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.571 179.157 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 22' ' ' ASP . . . . . 0.548 ' OD1' ' N ' ' X' ' 24' ' ' ALA . 2.3 p30 -154.71 171.28 19.8 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.077 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 23' ' ' ALA . . . . . 0.407 ' HA ' ' CE2' ' X' ' 3' ' ' TYR . . . -72.44 -30.52 64.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.653 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 24' ' ' ALA . . . . . 0.548 ' N ' ' OD1' ' X' ' 22' ' ' ASP . . . -56.74 -36.49 69.82 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 25' ' ' THR . . . . . 0.516 ' N ' ' OD1' ' X' ' 22' ' ' ASP . 41.2 p -76.59 -46.31 26.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.316 179.196 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.44 -37.79 83.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.879 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 27' ' ' GLU . . . . . 0.511 ' O ' ' CG ' ' X' ' 31' ' ' LYS . 16.0 tt0 -54.92 -42.71 72.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.281 -179.078 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -66.31 -45.49 80.17 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.525 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 25.2 t -69.73 -39.87 78.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.319 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 30' ' ' PHE . . . . . 0.437 ' CD2' ' HB2' ' X' ' 5' ' ' LEU . 3.9 m-30 -62.05 -44.45 96.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.769 -179.649 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 31' ' ' LYS . . . . . 0.511 ' CG ' ' O ' ' X' ' 27' ' ' GLU . 18.6 mmtt -58.18 -29.65 65.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.721 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 32' ' ' GLN . . . . . 0.587 ' O ' ' N ' ' X' ' 36' ' ' ASP . 41.3 tp60 -62.52 -32.14 73.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.85 179.14 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -60.04 -47.24 86.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.04 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.19 -47.13 71.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.713 179.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -65.78 -42.88 90.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.806 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 36' ' ' ASP . . . . . 0.587 ' N ' ' O ' ' X' ' 32' ' ' GLN . 12.0 t70 -63.02 -27.96 69.77 Favored 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 179.225 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 37' ' ' ASN . . . . . 0.953 ' O ' HG23 ' X' ' 39' ' ' VAL . 24.4 m120 -119.47 52.82 1.07 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.127 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 38' ' ' GLY . . . . . 0.597 ' C ' ' O ' ' X' ' 37' ' ' ASN . . . 1.52 62.69 0.0 OUTLIER Glycine 0 CA--C 1.523 0.589 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.97 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 39' ' ' VAL . . . . . 0.953 HG23 ' O ' ' X' ' 37' ' ' ASN . 55.1 t -94.67 127.88 46.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.831 0.348 . . . . 0.0 110.687 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -121.79 107.6 12.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.125 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . -157.07 -152.0 6.18 Favored Glycine 0 CA--C 1.519 0.285 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 42' ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -102.38 136.51 42.09 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 179.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 43' ' ' TRP . . . . . 0.528 ' CE3' HG13 ' X' ' 54' ' ' VAL . 0.7 OUTLIER -112.62 142.04 45.68 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.626 -179.882 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.68 151.26 51.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.353 179.67 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 45' ' ' TYR . . . . . 0.658 ' CD1' ' CE1' ' X' ' 52' ' ' PHE . 5.6 t80 -142.84 123.95 14.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.287 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.58 133.14 56.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.272 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -77.49 -32.89 54.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.981 0.419 . . . . 0.0 110.618 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.71 -32.31 60.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.28 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 49' ' ' THR . . . . . 0.545 ' O ' ' C ' ' X' ' 50' ' ' LYS . 0.2 OUTLIER -104.37 -2.08 25.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.427 179.895 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' X' X ' 50' ' ' LYS . . . . . 0.562 ' O ' ' CG ' ' X' ' 50' ' ' LYS . 0.2 OUTLIER 26.12 49.8 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.621 -179.734 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' X' X ' 51' ' ' THR . . . . . 0.422 ' N ' ' O ' ' X' ' 49' ' ' THR . 2.6 m -125.45 143.56 50.93 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.58 -179.733 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 52' ' ' PHE . . . . . 0.658 ' CE1' ' CD1' ' X' ' 45' ' ' TYR . 19.0 m-85 -117.39 132.66 56.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.403 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 53' ' ' THR . . . . . 0.444 ' CG2' ' N ' ' X' ' 54' ' ' VAL . 1.3 m -142.28 154.28 44.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.479 -179.596 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 54' ' ' VAL . . . . . 0.528 HG13 ' CE3' ' X' ' 43' ' ' TRP . 0.1 OUTLIER -129.45 124.58 60.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.133 179.505 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' X' X ' 55' ' ' THR . . . . . . . . . . . . . 2.3 m -125.78 128.47 47.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.247 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.524 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 1' ' ' MET . . . . . 0.693 ' O ' ' CZ ' ' X' ' 3' ' ' TYR . 13.0 ptm . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 2' ' ' GLN . . . . . 0.714 ' NE2' ' O ' ' X' ' 2' ' ' GLN . 1.4 pm0 -91.73 124.41 35.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.124 0.488 . . . . 0.0 110.867 -179.614 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 3' ' ' TYR . . . . . 0.693 ' CZ ' ' O ' ' X' ' 1' ' ' MET . 0.0 OUTLIER -117.8 147.03 43.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.923 179.576 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -118.65 143.11 47.04 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.351 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 5' ' ' LEU . . . . . 0.564 ' C ' HD12 ' X' ' 6' ' ' ILE . 13.4 tp -113.85 130.23 56.5 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.417 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 6' ' ' ILE . . . . . 0.614 ' C ' HD22 ' X' ' 7' ' ' LEU . 1.7 mp -116.7 134.46 60.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.42 179.365 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 7' ' ' LEU . . . . . 0.942 HD22 ' N ' ' X' ' 7' ' ' LEU . 1.4 mm? -111.08 128.9 56.02 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.335 179.366 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 8' ' ' ASN . . . . . 0.502 ' C ' ' O ' ' X' ' 12' ' ' LEU . 16.3 m-20 -133.77 -163.27 1.34 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.354 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.94 -168.96 23.09 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.841 -0.903 . . . . 0.0 110.841 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.23 -57.08 4.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.769 0.319 . . . . 0.0 110.803 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -122.51 22.64 9.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.593 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 12' ' ' LEU . . . . . 0.502 ' O ' ' C ' ' X' ' 8' ' ' ASN . 6.6 tp -133.18 112.21 11.54 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.749 -0.381 . . . . 0.0 111.52 -179.306 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 17.2 ttpt -140.51 138.85 34.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.411 178.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -163.27 169.74 38.47 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.306 -1.118 . . . . 0.0 110.306 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -139.64 136.96 34.85 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 179.314 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 16' ' ' THR . . . . . 0.516 ' CG2' ' N ' ' X' ' 17' ' ' THR . 1.6 m -138.94 158.14 44.75 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.803 -179.514 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 17' ' ' THR . . . . . 0.516 ' N ' ' CG2' ' X' ' 16' ' ' THR . 3.0 t -139.96 135.74 33.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.648 179.238 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -143.93 150.94 39.14 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.222 0.534 . . . . 0.0 111.12 -179.448 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -125.17 129.74 50.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.846 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 20' ' ' ALA . . . . . 0.442 ' HB3' ' CE1' ' X' ' 3' ' ' TYR . . . -138.71 177.88 7.56 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.312 0.577 . . . . 0.0 111.346 -179.216 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 21' ' ' VAL . . . . . 0.45 HG22 ' H ' ' X' ' 21' ' ' VAL . 0.1 OUTLIER -70.62 -38.6 73.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.511 178.891 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' X' X ' 22' ' ' ASP . . . . . 0.562 ' C ' ' OH ' ' X' ' 3' ' ' TYR . 4.4 p30 -155.87 172.74 17.84 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.072 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.82 -30.91 64.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.505 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.32 -36.15 68.38 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 25' ' ' THR . . . . . 0.614 ' O ' HG23 ' X' ' 29' ' ' VAL . 12.0 p -77.82 -42.89 32.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.091 178.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 26' ' ' ALA . . . . . 0.664 ' O ' ' CD2' ' X' ' 30' ' ' PHE . . . -64.31 -39.18 93.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.062 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 27' ' ' GLU . . . . . 0.653 ' O ' ' CG ' ' X' ' 31' ' ' LYS . 5.3 pt-20 -55.06 -45.2 75.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.763 0.316 . . . . 0.0 110.575 -179.611 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 28' ' ' LYS . . . . . 0.567 ' N ' ' CG ' ' X' ' 27' ' ' GLU . 0.2 OUTLIER -73.39 -38.85 65.49 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.954 179.826 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' X' X ' 29' ' ' VAL . . . . . 0.614 HG23 ' O ' ' X' ' 25' ' ' THR . 93.9 t -71.17 -54.86 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -178.317 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 30' ' ' PHE . . . . . 0.664 ' CD2' ' O ' ' X' ' 26' ' ' ALA . 3.9 p90 -74.8 -29.98 61.27 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 119.843 -0.743 . . . . 0.0 112.485 -178.05 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 31' ' ' LYS . . . . . 0.653 ' CG ' ' O ' ' X' ' 27' ' ' GLU . 18.4 mmtp -55.61 -29.33 58.95 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 119.723 -0.791 . . . . 0.0 109.129 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -64.73 -30.82 71.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.771 179.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 33' ' ' TYR . . . . . 0.573 ' C ' ' CD1' ' X' ' 33' ' ' TYR . 4.3 t80 -57.89 -44.66 86.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.339 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.33 -45.92 68.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 109.927 179.253 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 35' ' ' ASN . . . . . 0.428 ' N ' ' OD1' ' X' ' 35' ' ' ASN . 1.3 m-20 -62.41 -42.44 99.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.95 179.459 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -65.8 -30.15 70.74 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 37' ' ' ASN . . . . . 0.943 ' O ' HG23 ' X' ' 39' ' ' VAL . 31.7 t30 -112.41 52.92 0.75 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 179.093 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 38' ' ' GLY . . . . . 0.587 ' C ' ' O ' ' X' ' 37' ' ' ASN . . . 3.74 60.77 0.0 OUTLIER Glycine 0 CA--C 1.524 0.615 0 CA-C-N 115.65 -0.704 . . . . 0.0 112.049 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 39' ' ' VAL . . . . . 0.943 HG23 ' O ' ' X' ' 37' ' ' ASN . 52.3 t -94.89 109.64 22.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.708 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -109.87 108.45 18.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.045 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . -156.35 -151.11 5.84 Favored Glycine 0 CA--C 1.519 0.308 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 42' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -101.68 133.04 47.01 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.237 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 43' ' ' TRP . . . . . 0.568 ' HE1' ' HB3' ' X' ' 52' ' ' PHE . 0.6 OUTLIER -114.09 144.05 43.77 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.847 -179.751 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 3.2 p -133.99 153.76 51.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.179 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 45' ' ' TYR . . . . . 0.775 ' CD1' ' CE2' ' X' ' 52' ' ' PHE . 2.9 t80 -144.16 125.02 14.25 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.556 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 46' ' ' ASP . . . . . 0.418 ' N ' ' CD1' ' X' ' 45' ' ' TYR . 6.2 t0 -117.61 132.81 56.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.218 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.71 -32.59 53.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.913 0.387 . . . . 0.0 110.567 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.53 -32.58 58.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.418 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 49' ' ' THR . . . . . 0.538 ' O ' ' C ' ' X' ' 50' ' ' LYS . 0.3 OUTLIER -102.89 -1.9 28.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.331 179.73 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' X' X ' 50' ' ' LYS . . . . . 0.538 ' C ' ' O ' ' X' ' 49' ' ' THR . 5.1 ptmt 26.65 46.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.65 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 51' ' ' THR . . . . . 0.466 ' N ' ' O ' ' X' ' 49' ' ' THR . 2.5 m -125.76 137.72 53.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.46 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 52' ' ' PHE . . . . . 0.775 ' CE2' ' CD1' ' X' ' 45' ' ' TYR . 34.2 m-85 -119.44 132.43 55.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.712 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 53' ' ' THR . . . . . 0.44 ' CG2' ' N ' ' X' ' 54' ' ' VAL . 1.4 m -142.4 154.51 44.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.452 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 54' ' ' VAL . . . . . 0.44 ' N ' ' CG2' ' X' ' 53' ' ' THR . 5.2 p -130.3 127.15 62.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.896 0.379 . . . . 0.0 110.665 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 55' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -125.73 134.67 51.7 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.675 179.363 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 56' ' ' GLU . . . . . 0.412 ' H ' ' HG3' ' X' ' 56' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.669 0 CA-C-O 118.003 -0.999 . . . . 0.0 110.607 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 1' ' ' MET . . . . . 0.691 ' O ' ' CZ ' ' X' ' 3' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 2' ' ' GLN . . . . . 0.737 ' NE2' ' H ' ' X' ' 2' ' ' GLN . 0.0 OUTLIER -91.82 136.98 32.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.459 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' X' X ' 3' ' ' TYR . . . . . 0.764 ' CD1' ' N ' ' X' ' 3' ' ' TYR . 0.0 OUTLIER -124.88 151.41 45.36 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.169 179.76 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' X' X ' 4' ' ' LYS . . . . . 0.529 ' H ' HG23 ' X' ' 51' ' ' THR . 32.5 tttm -118.21 142.24 47.67 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.357 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 5' ' ' LEU . . . . . 0.658 HD22 ' CD2' ' X' ' 7' ' ' LEU . 0.5 OUTLIER -113.73 121.69 44.85 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.129 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' X' X ' 6' ' ' ILE . . . . . 0.576 ' C ' HD22 ' X' ' 7' ' ' LEU . 2.0 mm -115.51 132.2 65.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.547 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 7' ' ' LEU . . . . . 0.658 ' CD2' HD22 ' X' ' 5' ' ' LEU . 4.4 mm? -113.68 127.73 56.15 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.847 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 8' ' ' ASN . . . . . 0.43 ' O ' ' O ' ' X' ' 12' ' ' LEU . 84.2 m-20 -128.21 -164.66 1.4 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.135 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.8 -165.82 24.12 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.846 -0.901 . . . . 0.0 110.846 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 10' ' ' LYS . . . . . 0.456 ' HD3' ' N ' ' X' ' 10' ' ' LYS . 10.7 mmtp -74.04 -61.07 1.98 Allowed 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.323 0.582 . . . . 0.0 110.36 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.14 18.44 10.78 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.711 -179.238 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 12' ' ' LEU . . . . . 0.612 HD13 ' C ' ' X' ' 12' ' ' LEU . 0.5 OUTLIER -125.37 105.78 9.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.846 -179.803 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' X' X ' 13' ' ' LYS . . . . . 0.585 ' N ' HD13 ' X' ' 12' ' ' LEU . 3.0 ttpm? -131.88 139.26 48.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.125 178.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 14' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' X' ' 7' ' ' LEU . . . -163.1 152.65 22.85 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.674 -0.97 . . . . 0.0 110.674 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -129.32 138.42 51.57 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 16' ' ' THR . . . . . 0.625 HG21 ' CE2' ' X' ' 33' ' ' TYR . 0.2 OUTLIER -135.98 162.12 33.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.295 0.569 . . . . 0.0 111.831 -178.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -143.12 129.54 20.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.377 178.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 1.9 m -144.29 151.93 40.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.971 0.415 . . . . 0.0 110.887 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -124.25 135.55 53.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.481 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 20' ' ' ALA . . . . . 0.538 ' O ' ' SD ' ' X' ' 1' ' ' MET . . . -148.91 176.9 10.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 21' ' ' VAL . . . . . . . . . . . . . 23.0 t -71.43 -38.54 69.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.55 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 22' ' ' ASP . . . . . 0.746 ' OD1' ' HB3' ' X' ' 24' ' ' ALA . 3.3 p30 -154.95 169.98 22.79 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.952 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 23' ' ' ALA . . . . . 0.551 ' O ' ' N ' ' X' ' 27' ' ' GLU . . . -72.15 -29.1 63.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.638 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 24' ' ' ALA . . . . . 0.746 ' HB3' ' OD1' ' X' ' 22' ' ' ASP . . . -55.66 -37.9 68.88 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 25' ' ' THR . . . . . . . . . . . . . 15.3 p -76.64 -44.86 32.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.806 178.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.21 -36.49 83.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.43 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 27' ' ' GLU . . . . . 0.551 ' N ' ' O ' ' X' ' 23' ' ' ALA . 19.7 tt0 -53.92 -45.71 71.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.286 -178.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 9.2 mmtp -64.62 -47.09 79.84 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.84 -179.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 29' ' ' VAL . . . . . 0.401 ' O ' ' HB3' ' X' ' 32' ' ' GLN . 0.6 OUTLIER -70.26 -36.23 66.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.774 179.418 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' X' X ' 30' ' ' PHE . . . . . 0.475 ' CD2' ' HB2' ' X' ' 52' ' ' PHE . 1.9 m-85 -58.95 -45.03 91.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.534 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 31' ' ' LYS . . . . . 0.536 ' NZ ' ' CG ' ' X' ' 27' ' ' GLU . 3.5 mmtp -58.31 -30.04 66.36 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.816 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 32' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' X' ' 36' ' ' ASP . 4.9 tt0 -68.1 -31.23 70.69 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.334 179.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 33' ' ' TYR . . . . . 0.625 ' CE2' HG21 ' X' ' 16' ' ' THR . 23.7 t80 -58.74 -46.09 88.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.038 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.45 -44.54 78.4 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 39.4 t-20 -65.92 -41.64 91.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.996 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 36' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' X' ' 32' ' ' GLN . 15.7 m-20 -65.13 -30.59 71.53 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 37' ' ' ASN . . . . . 0.914 ' O ' HG23 ' X' ' 39' ' ' VAL . 2.3 m-20 -113.56 53.1 0.78 Allowed 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.374 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 38' ' ' GLY . . . . . 0.58 ' C ' ' O ' ' X' ' 37' ' ' ASN . . . 3.07 59.32 0.0 OUTLIER Glycine 0 CA--C 1.524 0.63 0 CA-C-N 115.769 -0.651 . . . . 0.0 112.353 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 39' ' ' VAL . . . . . 0.914 HG23 ' O ' ' X' ' 37' ' ' ASN . 25.0 t -97.43 132.47 42.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.922 0.392 . . . . 0.0 110.827 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 40' ' ' ASP . . . . . 0.49 ' CG ' ' O ' ' X' ' 40' ' ' ASP . 9.8 p-10 -126.09 107.0 9.99 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.21 179.228 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . -157.38 -152.83 6.47 Favored Glycine 0 CA--C 1.517 0.209 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 42' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -102.76 142.46 33.87 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 43' ' ' TRP . . . . . 0.468 ' CE3' HG13 ' X' ' 54' ' ' VAL . 0.6 OUTLIER -112.88 142.63 45.32 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.755 -179.602 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -128.38 149.58 50.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.374 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 45' ' ' TYR . . . . . 0.738 ' CD1' ' CZ ' ' X' ' 52' ' ' PHE . 21.2 t80 -137.54 122.14 18.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.463 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -117.7 128.26 54.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.35 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -77.11 -31.98 56.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.98 0.419 . . . . 0.0 110.538 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.92 -32.29 59.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.418 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 49' ' ' THR . . . . . 0.539 ' O ' ' C ' ' X' ' 50' ' ' LYS . 0.3 OUTLIER -103.67 -2.09 27.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.33 179.848 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' X' X ' 50' ' ' LYS . . . . . 0.554 ' CG ' ' O ' ' X' ' 50' ' ' LYS . 0.0 OUTLIER 26.85 46.27 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.605 -179.655 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' X' X ' 51' ' ' THR . . . . . 0.529 HG23 ' H ' ' X' ' 4' ' ' LYS . 99.4 m -124.93 143.81 50.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.522 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 52' ' ' PHE . . . . . 0.738 ' CZ ' ' CD1' ' X' ' 45' ' ' TYR . 30.2 m-85 -115.85 132.68 56.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.354 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 53' ' ' THR . . . . . 0.409 HG22 ' N ' ' X' ' 54' ' ' VAL . 16.7 m -141.44 154.51 45.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.348 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 54' ' ' VAL . . . . . 0.468 HG13 ' CE3' ' X' ' 43' ' ' TRP . 0.1 OUTLIER -126.28 124.87 66.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 179.48 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' X' X ' 55' ' ' THR . . . . . . . . . . . . . 2.2 m -125.58 129.65 50.09 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.202 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.573 -179.903 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' X' X ' 1' ' ' MET . . . . . 0.68 ' O ' ' CZ ' ' X' ' 3' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 2' ' ' GLN . . . . . 0.425 ' NE2' ' C ' ' X' ' 2' ' ' GLN . 0.2 OUTLIER -92.47 118.29 30.81 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.127 -0.629 . . . . 0.0 111.435 -179.435 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' X' X ' 3' ' ' TYR . . . . . 0.68 ' CZ ' ' O ' ' X' ' 1' ' ' MET . 0.0 OUTLIER -128.7 142.55 50.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.65 179.608 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' X' X ' 4' ' ' LYS . . . . . 0.544 ' O ' ' O ' ' X' ' 52' ' ' PHE . 14.4 ttpt -118.99 139.74 51.17 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.973 179.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 5' ' ' LEU . . . . . 0.817 ' C ' HD13 ' X' ' 5' ' ' LEU . 3.1 tm? -117.54 112.78 21.04 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.188 0.518 . . . . 0.0 110.278 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 6' ' ' ILE . . . . . 0.428 HD11 ' CE ' ' X' ' 4' ' ' LYS . 10.1 mt -116.58 135.5 56.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.981 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 7' ' ' LEU . . . . . 0.725 HD23 HD11 ' X' ' 5' ' ' LEU . 0.8 OUTLIER -112.23 130.08 56.05 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.35 179.188 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' X' X ' 8' ' ' ASN . . . . . 0.679 ' ND2' ' H ' ' X' ' 9' ' ' GLY . 4.9 t30 -129.16 -164.08 1.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.48 -179.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 9' ' ' GLY . . . . . 0.679 ' H ' ' ND2' ' X' ' 8' ' ' ASN . . . 133.61 -166.86 23.76 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 10' ' ' LYS . . . . . 0.441 ' HD3' ' N ' ' X' ' 10' ' ' LYS . 4.3 mmtt -74.01 -62.46 1.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.788 0.328 . . . . 0.0 110.367 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 11' ' ' THR . . . . . 0.435 ' O ' ' OG1' ' X' ' 11' ' ' THR . 0.6 OUTLIER -117.75 21.37 12.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.318 179.722 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' X' X ' 12' ' ' LEU . . . . . 0.562 ' C ' ' CD1' ' X' ' 12' ' ' LEU . 0.2 OUTLIER -128.69 106.16 8.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.677 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' X' X ' 13' ' ' LYS . . . . . 0.528 ' N ' HD13 ' X' ' 12' ' ' LEU . 19.9 ttpt -131.92 139.22 48.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.041 0.448 . . . . 0.0 110.126 179.061 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 14' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' X' ' 7' ' ' LEU . . . -160.39 146.33 12.41 Favored Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -131.06 134.28 46.48 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 2.6 m -141.81 162.47 35.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.067 0.461 . . . . 0.0 111.3 -178.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 17' ' ' THR . . . . . 0.461 HG23 ' O ' ' X' ' 17' ' ' THR . 12.6 t -141.8 129.95 22.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.387 178.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -141.16 152.03 44.34 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.041 0.448 . . . . 0.0 110.662 -179.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -127.08 129.01 47.17 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.349 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.96 174.58 10.47 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.903 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 21' ' ' VAL . . . . . 0.406 HG13 ' N ' ' X' ' 22' ' ' ASP . 7.3 p -70.95 -33.62 52.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.737 178.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 22' ' ' ASP . . . . . 0.536 ' C ' ' OH ' ' X' ' 3' ' ' TYR . 2.4 p30 -154.64 170.46 21.47 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.118 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 23' ' ' ALA . . . . . 0.434 ' HA ' ' CE2' ' X' ' 3' ' ' TYR . . . -73.58 -32.08 63.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.169 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 24' ' ' ALA . . . . . 0.423 ' N ' ' OD1' ' X' ' 22' ' ' ASP . . . -56.07 -37.45 69.33 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 25' ' ' THR . . . . . 0.417 ' N ' ' OD1' ' X' ' 22' ' ' ASP . 0.7 OUTLIER -76.53 -46.2 27.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.12 179.239 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' X' X ' 26' ' ' ALA . . . . . 0.512 ' O ' ' CD2' ' X' ' 30' ' ' PHE . . . -59.6 -35.68 74.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.522 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 27' ' ' GLU . . . . . 0.635 ' O ' ' CG ' ' X' ' 31' ' ' LYS . 27.2 tt0 -53.67 -44.33 69.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.217 -179.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 10.6 mmtt -72.32 -38.86 68.56 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.373 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 59.3 t -71.46 -54.98 15.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -177.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 30' ' ' PHE . . . . . 0.541 ' CE2' ' HA ' ' X' ' 27' ' ' GLU . 2.5 p90 -74.71 -29.47 61.2 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 119.891 -0.724 . . . . 0.0 112.547 -178.041 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 31' ' ' LYS . . . . . 0.635 ' CG ' ' O ' ' X' ' 27' ' ' GLU . 45.3 mmtt -55.27 -30.46 60.16 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 119.766 -0.774 . . . . 0.0 108.931 179.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 32' ' ' GLN . . . . . 0.417 ' O ' ' N ' ' X' ' 36' ' ' ASP . 17.7 tt0 -61.29 -28.91 69.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.35 179.188 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -57.08 -46.19 82.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.67 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 34' ' ' ALA . . . . . 0.536 ' HB2' ' CH2' ' X' ' 43' ' ' TRP . . . -64.84 -47.97 76.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.01 0.434 . . . . 0.0 109.884 179.495 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -63.8 -38.1 89.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.965 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 36' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' X' ' 32' ' ' GLN . 17.7 t70 -62.55 -28.69 70.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.525 179.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 37' ' ' ASN . . . . . 1.014 ' O ' HG23 ' X' ' 39' ' ' VAL . 31.7 m120 -118.25 53.02 0.98 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.209 -0.905 . . . . 0.0 108.59 179.354 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 38' ' ' GLY . . . . . 0.581 ' C ' ' O ' ' X' ' 37' ' ' ASN . . . 0.98 60.97 0.0 OUTLIER Glycine 0 CA--C 1.523 0.594 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.242 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 39' ' ' VAL . . . . . 1.014 HG23 ' O ' ' X' ' 37' ' ' ASN . 47.4 t -98.15 138.15 23.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.943 0.401 . . . . 0.0 110.864 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -126.17 108.11 11.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.292 179.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . -155.44 -154.54 6.97 Favored Glycine 0 CA--C 1.518 0.242 0 N-CA-C 111.261 -0.735 . . . . 0.0 111.261 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 42' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -102.83 137.46 41.02 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 43' ' ' TRP . . . . . 0.665 ' CE2' HG22 ' X' ' 54' ' ' VAL . 0.5 OUTLIER -113.18 144.75 42.14 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.301 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.64 147.73 52.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.486 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 45' ' ' TYR . . . . . 0.731 ' CD1' ' CZ ' ' X' ' 52' ' ' PHE . 3.9 t80 -135.03 121.63 20.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.22 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -115.99 129.36 56.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.589 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 47' ' ' ASP . . . . . 0.574 ' OD1' ' N ' ' X' ' 48' ' ' ALA . 45.2 p-10 -76.74 -30.28 56.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.738 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 48' ' ' ALA . . . . . 0.574 ' N ' ' OD1' ' X' ' 47' ' ' ASP . . . -72.37 -31.79 65.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.779 -179.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 49' ' ' THR . . . . . 0.479 ' O ' ' C ' ' X' ' 50' ' ' LYS . 0.2 OUTLIER -110.51 -3.31 16.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.773 -179.901 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' X' X ' 50' ' ' LYS . . . . . 0.479 ' C ' ' O ' ' X' ' 49' ' ' THR . 1.8 ptpt 34.69 44.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.45 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 51' ' ' THR . . . . . . . . . . . . . 3.0 m -126.52 139.26 53.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.689 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 52' ' ' PHE . . . . . 0.731 ' CZ ' ' CD1' ' X' ' 45' ' ' TYR . 4.4 m-85 -120.2 132.07 55.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.388 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 53' ' ' THR . . . . . 0.504 ' CG2' ' N ' ' X' ' 54' ' ' VAL . 1.4 m -144.45 159.06 43.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.032 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 54' ' ' VAL . . . . . 0.665 HG22 ' CE2' ' X' ' 43' ' ' TRP . 0.9 OUTLIER -128.2 125.8 64.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.735 179.83 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' X' X ' 55' ' ' THR . . . . . . . . . . . . . 3.0 m -125.82 129.84 50.2 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.06 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.616 -179.908 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' X' X ' 1' ' ' MET . . . . . 0.706 ' O ' ' CE1' ' X' ' 3' ' ' TYR . 1.2 ptt? . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 2' ' ' GLN . . . . . 0.712 ' H ' ' CD ' ' X' ' 2' ' ' GLN . 0.0 OUTLIER -91.82 129.98 37.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.968 0.413 . . . . 0.0 110.818 -179.761 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' X' X ' 3' ' ' TYR . . . . . 0.706 ' CE1' ' O ' ' X' ' 1' ' ' MET . 0.0 OUTLIER -123.35 151.21 42.73 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.955 179.32 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' X' X ' 4' ' ' LYS . . . . . 0.485 ' O ' ' O ' ' X' ' 52' ' ' PHE . 15.0 mmtp -118.22 143.18 46.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.259 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 5' ' ' LEU . . . . . 0.759 ' C ' HD13 ' X' ' 5' ' ' LEU . 3.1 tm? -117.46 114.61 23.75 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.468 -179.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 6' ' ' ILE . . . . . 0.518 ' H ' HG22 ' X' ' 53' ' ' THR . 8.1 mm -116.55 132.41 66.29 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.232 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.041 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 7' ' ' LEU . . . . . 0.744 HD23 HD11 ' X' ' 5' ' ' LEU . 0.8 OUTLIER -114.01 129.68 56.59 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.419 179.38 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' X' X ' 8' ' ' ASN . . . . . 0.513 ' O ' ' O ' ' X' ' 12' ' ' LEU . 21.7 m120 -126.72 -164.91 1.39 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.422 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.24 -169.15 22.76 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 10' ' ' LYS . . . . . 0.456 ' HD3' ' N ' ' X' ' 10' ' ' LYS . 14.1 mmtt -71.53 -57.78 4.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.906 0.384 . . . . 0.0 110.295 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -124.5 5.41 8.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.422 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 12' ' ' LEU . . . . . 0.651 HD13 ' C ' ' X' ' 12' ' ' LEU . 0.8 OUTLIER -107.89 105.86 15.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.739 -179.913 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' X' X ' 13' ' ' LYS . . . . . 0.594 ' N ' HD13 ' X' ' 12' ' ' LEU . 11.0 ttmt -133.69 139.7 46.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.997 179.134 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 14' ' ' GLY . . . . . 0.546 ' O ' ' N ' ' X' ' 7' ' ' LEU . . . -160.94 143.16 8.67 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -132.52 135.96 46.32 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 16' ' ' THR . . . . . 0.567 ' CG2' ' N ' ' X' ' 17' ' ' THR . 1.0 OUTLIER -142.25 164.23 30.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.945 0.402 . . . . 0.0 111.003 -178.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' X' X ' 17' ' ' THR . . . . . 0.567 ' N ' ' CG2' ' X' ' 16' ' ' THR . 0.1 OUTLIER -137.89 130.46 29.53 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.654 179.428 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 1.8 m -145.49 150.25 36.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.949 0.404 . . . . 0.0 110.895 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -124.17 132.51 53.63 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.01 179.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 20' ' ' ALA . . . . . 0.402 ' HB3' ' CE1' ' X' ' 3' ' ' TYR . . . -139.64 176.56 8.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.14 0.495 . . . . 0.0 111.254 -179.4 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 21' ' ' VAL . . . . . 0.487 HG23 ' N ' ' X' ' 22' ' ' ASP . 29.3 m -71.44 -37.41 64.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.698 179.074 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 22' ' ' ASP . . . . . 0.543 ' C ' ' OH ' ' X' ' 3' ' ' TYR . 2.6 p30 -154.65 171.73 19.03 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.088 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.63 -29.9 63.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.443 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 24' ' ' ALA . . . . . 0.52 ' N ' ' OD1' ' X' ' 22' ' ' ASP . . . -55.85 -38.37 69.98 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 25' ' ' THR . . . . . 0.46 ' N ' ' OD1' ' X' ' 22' ' ' ASP . 1.6 p -77.58 -43.74 30.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.977 178.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 26' ' ' ALA . . . . . 0.473 ' O ' ' CD2' ' X' ' 30' ' ' PHE . . . -57.43 -34.64 69.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.491 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 27' ' ' GLU . . . . . 0.549 ' HA ' ' CE2' ' X' ' 30' ' ' PHE . 0.5 OUTLIER -52.45 -40.5 62.34 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.164 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' X' X ' 28' ' ' LYS . . . . . 0.498 ' N ' ' HG3' ' X' ' 27' ' ' GLU . 0.4 OUTLIER -72.25 -39.83 68.13 Favored 'General case' 0 C--N 1.317 -0.832 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.885 179.854 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 98.5 t -73.03 -56.16 10.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 113.507 0.929 . . . . 0.0 113.507 -178.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 30' ' ' PHE . . . . . 0.686 ' CD1' ' N ' ' X' ' 31' ' ' LYS . 3.7 p90 -75.09 -41.98 57.62 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 120.149 -0.62 . . . . 0.0 112.535 -177.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 31' ' ' LYS . . . . . 0.686 ' N ' ' CD1' ' X' ' 30' ' ' PHE . 1.8 tppp? -55.87 -29.14 59.45 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 119.733 -0.787 . . . . 0.0 109.168 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 32' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' X' ' 36' ' ' ASP . 18.9 tt0 -60.88 -30.02 69.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.243 178.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -57.94 -46.1 85.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.524 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.02 -47.16 75.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.019 0.438 . . . . 0.0 110.047 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 35' ' ' ASN . . . . . 0.55 ' N ' HD22 ' X' ' 35' ' ' ASN . 1.7 m120 -67.72 -39.9 84.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.48 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 36' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' X' ' 32' ' ' GLN . 44.8 t0 -66.79 -29.65 69.65 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.043 179.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 37' ' ' ASN . . . . . 0.716 ' O ' HG23 ' X' ' 39' ' ' VAL . 7.4 t-20 -110.63 54.07 0.68 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.286 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 38' ' ' GLY . . . . . 0.575 ' C ' ' O ' ' X' ' 37' ' ' ASN . . . 4.18 58.94 0.0 OUTLIER Glycine 0 CA--C 1.524 0.636 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.506 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 39' ' ' VAL . . . . . 0.716 HG23 ' O ' ' X' ' 37' ' ' ASN . 5.0 t -94.45 130.95 42.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.496 179.528 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -123.73 107.56 11.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.009 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . -160.47 -144.95 4.13 Favored Glycine 0 CA--C 1.517 0.193 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 42' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -101.54 139.54 37.06 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 178.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 43' ' ' TRP . . . . . 0.732 ' CE2' HG22 ' X' ' 54' ' ' VAL . 0.1 OUTLIER -109.85 139.54 44.81 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.949 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.87 166.77 20.16 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.711 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 45' ' ' TYR . . . . . 0.797 ' CD1' ' CE2' ' X' ' 52' ' ' PHE . 3.5 t80 -157.89 135.59 10.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.451 179.459 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 46' ' ' ASP . . . . . 0.588 ' N ' ' CD1' ' X' ' 45' ' ' TYR . 5.4 m-20 -121.55 118.88 30.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.544 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -77.07 -30.38 55.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.548 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.46 -33.34 42.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.735 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 49' ' ' THR . . . . . 0.483 ' C ' ' CG ' ' X' ' 50' ' ' LYS . 3.6 p -101.89 -0.26 34.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 50' ' ' LYS . . . . . 0.483 ' CG ' ' C ' ' X' ' 49' ' ' THR . 3.2 pttm 36.74 35.9 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.752 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 51' ' ' THR . . . . . . . . . . . . . 11.5 m -114.71 137.35 52.02 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.172 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 52' ' ' PHE . . . . . 0.797 ' CE2' ' CD1' ' X' ' 45' ' ' TYR . 81.3 m-85 -118.81 131.31 56.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.599 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 53' ' ' THR . . . . . 0.518 HG22 ' H ' ' X' ' 6' ' ' ILE . 39.9 p -146.91 159.78 43.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.673 -179.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 54' ' ' VAL . . . . . 0.732 HG22 ' CE2' ' X' ' 43' ' ' TRP . 1.7 t -127.06 128.32 70.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 179.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 55' ' ' THR . . . . . . . . . . . . . 2.8 m -125.24 129.26 49.7 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.385 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.451 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 1' ' ' MET . . . . . 0.748 ' SD ' ' N ' ' X' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 2' ' ' GLN . . . . . 0.666 ' OE1' ' N ' ' X' ' 1' ' ' MET . 0.0 OUTLIER -91.95 120.6 32.76 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.694 -179.705 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' X' X ' 3' ' ' TYR . . . . . 0.703 ' CZ ' ' O ' ' X' ' 1' ' ' MET . 0.0 OUTLIER -122.94 139.32 54.18 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.734 179.759 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' X' X ' 4' ' ' LYS . . . . . 0.416 ' H ' HG23 ' X' ' 51' ' ' THR . 25.1 tttt -118.14 140.01 50.41 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.039 179.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 5' ' ' LEU . . . . . 0.697 ' C ' HD13 ' X' ' 5' ' ' LEU . 2.8 tm? -114.75 111.7 21.67 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.085 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 6' ' ' ILE . . . . . 0.551 ' H ' HG22 ' X' ' 53' ' ' THR . 2.0 mm -115.6 130.5 70.12 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.292 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.819 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 7' ' ' LEU . . . . . 0.632 ' CD2' HG21 ' X' ' 39' ' ' VAL . 1.1 mp -113.78 130.56 56.43 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.485 179.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 8' ' ' ASN . . . . . 0.5 ' O ' ' O ' ' X' ' 12' ' ' LEU . 0.4 OUTLIER -124.82 -163.98 1.23 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.024 179.783 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . 134.38 -173.53 21.37 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.676 -0.969 . . . . 0.0 110.676 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 10' ' ' LYS . . . . . 0.464 ' HG2' ' H ' ' X' ' 11' ' ' THR . 0.0 OUTLIER -69.24 -56.13 8.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.842 0.354 . . . . 0.0 110.68 -179.843 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' X' X ' 11' ' ' THR . . . . . 0.464 ' H ' ' HG2' ' X' ' 10' ' ' LYS . 1.5 t -123.65 8.74 8.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.523 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 12' ' ' LEU . . . . . 0.524 HD13 ' C ' ' X' ' 12' ' ' LEU . 0.4 OUTLIER -115.53 106.03 13.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.076 -179.72 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' X' X ' 13' ' ' LYS . . . . . 0.512 ' N ' HD13 ' X' ' 12' ' ' LEU . 16.3 ttpp -130.76 139.34 50.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.627 178.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -159.58 147.37 14.54 Favored Glycine 0 CA--C 1.521 0.451 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -138.33 135.92 35.87 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 16' ' ' THR . . . . . 0.589 ' CG2' ' N ' ' X' ' 17' ' ' THR . 1.9 m -140.21 163.2 33.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.134 0.492 . . . . 0.0 111.248 -178.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 17' ' ' THR . . . . . 0.589 ' N ' ' CG2' ' X' ' 16' ' ' THR . 2.1 p -139.18 130.64 27.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.896 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 1.8 m -146.33 151.8 38.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.026 0.441 . . . . 0.0 111.069 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 19' ' ' GLU . . . . . 0.67 ' OE1' ' N ' ' X' ' 20' ' ' ALA . 0.4 OUTLIER -125.32 133.86 52.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.01 179.453 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' X' X ' 20' ' ' ALA . . . . . 0.67 ' N ' ' OE1' ' X' ' 19' ' ' GLU . . . -143.77 176.64 9.09 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.182 0.515 . . . . 0.0 111.219 -179.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 21' ' ' VAL . . . . . 0.47 HG13 ' N ' ' X' ' 22' ' ' ASP . 7.2 p -72.33 -36.98 57.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.1 179.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 22' ' ' ASP . . . . . 0.534 ' C ' ' OH ' ' X' ' 3' ' ' TYR . 2.4 p30 -152.88 170.82 19.41 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.291 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 23' ' ' ALA . . . . . 0.472 ' HA ' ' CE2' ' X' ' 3' ' ' TYR . . . -73.01 -30.01 63.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.723 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 24' ' ' ALA . . . . . 0.511 ' N ' ' OD1' ' X' ' 22' ' ' ASP . . . -55.63 -36.61 67.19 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 25' ' ' THR . . . . . 0.456 ' N ' ' OD1' ' X' ' 22' ' ' ASP . 0.1 OUTLIER -76.97 -44.62 30.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.114 178.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' X' X ' 26' ' ' ALA . . . . . 0.601 ' O ' ' CD2' ' X' ' 30' ' ' PHE . . . -61.09 -36.08 78.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.465 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 27' ' ' GLU . . . . . 0.555 ' OE1' ' O ' ' X' ' 27' ' ' GLU . 0.0 OUTLIER -53.96 -41.3 67.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.452 -179.626 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' X' X ' 28' ' ' LYS . . . . . 0.464 ' N ' ' HG3' ' X' ' 27' ' ' GLU . 0.0 OUTLIER -74.14 -40.88 62.32 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.351 -179.7 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 79.5 t -71.99 -55.26 14.02 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 N-CA-C 113.48 0.919 . . . . 0.0 113.48 -178.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 30' ' ' PHE . . . . . 0.601 ' CD2' ' O ' ' X' ' 26' ' ' ALA . 3.5 p90 -74.48 -31.71 62.3 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 120.046 -0.661 . . . . 0.0 112.631 -177.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 31' ' ' LYS . . . . . 0.543 ' NZ ' ' CE3' ' X' ' 43' ' ' TRP . 10.9 tppt? -55.97 -29.94 61.0 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 119.85 -0.74 . . . . 0.0 109.108 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -61.88 -29.51 70.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.744 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 33' ' ' TYR . . . . . 0.402 ' CE1' HD22 ' X' ' 7' ' ' LEU . 5.3 t80 -57.58 -46.56 83.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 -179.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.26 -47.14 77.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.946 0.403 . . . . 0.0 110.212 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 45.9 t-20 -64.21 -41.25 97.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.458 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -66.72 -30.45 70.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.129 0.49 . . . . 0.0 109.949 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 37' ' ' ASN . . . . . 0.971 ' O ' HG23 ' X' ' 39' ' ' VAL . 1.5 m-80 -110.98 53.31 0.71 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 179.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 38' ' ' GLY . . . . . 0.586 ' C ' ' O ' ' X' ' 37' ' ' ASN . . . 3.9 59.27 0.0 OUTLIER Glycine 0 CA--C 1.524 0.599 0 CA-C-N 115.868 -0.605 . . . . 0.0 112.141 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 39' ' ' VAL . . . . . 0.971 HG23 ' O ' ' X' ' 37' ' ' ASN . 56.0 t -95.38 129.69 45.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.967 0.413 . . . . 0.0 110.717 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -125.26 107.36 10.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.124 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . -157.52 -151.74 6.12 Favored Glycine 0 CA--C 1.519 0.298 0 N-CA-C 111.089 -0.805 . . . . 0.0 111.089 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 42' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -102.37 138.08 39.78 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 179.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 43' ' ' TRP . . . . . 0.686 ' CE2' HG22 ' X' ' 54' ' ' VAL . 0.7 OUTLIER -113.0 141.44 46.84 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.577 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.36 155.53 45.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.956 179.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 45' ' ' TYR . . . . . 0.706 ' CD1' ' CE2' ' X' ' 52' ' ' PHE . 1.5 t80 -141.29 127.41 19.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.962 0.411 . . . . 0.0 110.911 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 46' ' ' ASP . . . . . 0.572 ' N ' ' CD1' ' X' ' 45' ' ' TYR . 1.4 m-20 -116.91 122.51 44.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.237 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 47' ' ' ASP . . . . . 0.605 ' OD1' ' N ' ' X' ' 48' ' ' ALA . 6.1 p30 -76.45 -28.67 56.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.829 -179.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 48' ' ' ALA . . . . . 0.605 ' N ' ' OD1' ' X' ' 47' ' ' ASP . . . -74.73 -32.32 62.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.786 -179.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 49' ' ' THR . . . . . . . . . . . . . 3.0 p -110.19 -3.93 16.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.699 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 50' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' X' ' 46' ' ' ASP . 0.0 OUTLIER 40.84 41.43 1.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.271 -179.784 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' X' X ' 51' ' ' THR . . . . . 0.416 HG23 ' H ' ' X' ' 4' ' ' LYS . 99.5 m -118.1 134.61 54.83 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.847 0.356 . . . . 0.0 111.074 -179.423 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 52' ' ' PHE . . . . . 0.706 ' CE2' ' CD1' ' X' ' 45' ' ' TYR . 38.7 m-85 -118.62 132.04 56.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.144 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 53' ' ' THR . . . . . 0.551 HG22 ' H ' ' X' ' 6' ' ' ILE . 57.2 p -143.41 155.79 44.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.541 -179.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 54' ' ' VAL . . . . . 0.686 HG22 ' CE2' ' X' ' 43' ' ' TRP . 0.6 OUTLIER -129.54 126.62 63.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.862 0.363 . . . . 0.0 110.438 179.653 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' X' X ' 55' ' ' THR . . . . . 0.494 HG23 ' CB ' ' X' ' 8' ' ' ASN . 2.9 m -125.36 131.32 53.0 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.069 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.621 -179.805 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' X' X ' 1' ' ' MET . . . . . 0.708 ' O ' ' CZ ' ' X' ' 3' ' ' TYR . 4.7 ptm . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 2' ' ' GLN . . . . . 0.635 ' NE2' ' O ' ' X' ' 2' ' ' GLN . 1.4 pm0 -92.7 131.77 37.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.801 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 3' ' ' TYR . . . . . 0.731 ' CD1' ' N ' ' X' ' 3' ' ' TYR . 0.0 OUTLIER -125.24 150.94 46.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.141 179.757 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' X' X ' 4' ' ' LYS . . . . . 0.437 ' O ' HG23 ' X' ' 51' ' ' THR . 20.5 ttpt -118.91 139.47 51.59 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.77 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 5' ' ' LEU . . . . . 0.803 ' C ' HD13 ' X' ' 5' ' ' LEU . 2.6 tm? -114.43 117.6 31.46 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.371 179.279 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 6' ' ' ILE . . . . . 0.503 ' O ' HG23 ' X' ' 53' ' ' THR . 2.0 mm -115.69 134.17 59.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 -179.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 7' ' ' LEU . . . . . 0.787 HD21 HD11 ' X' ' 5' ' ' LEU . 26.2 mt -113.02 122.15 46.75 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.446 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 8' ' ' ASN . . . . . 0.714 ' HB2' HG23 ' X' ' 55' ' ' THR . 5.4 m-20 -124.84 -164.51 1.28 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.773 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.88 178.03 15.33 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 10' ' ' LYS . . . . . 0.4 ' HG2' ' H ' ' X' ' 10' ' ' LYS . 7.2 pttp -67.86 -48.78 65.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.717 -0.242 . . . . 0.0 111.193 -179.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 11' ' ' THR . . . . . . . . . . . . . 64.0 p -123.61 12.89 9.32 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.1 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 12' ' ' LEU . . . . . 0.634 HD13 ' C ' ' X' ' 12' ' ' LEU . 0.6 OUTLIER -132.13 107.41 8.61 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.112 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' X' X ' 13' ' ' LYS . . . . . 0.627 ' N ' HD13 ' X' ' 12' ' ' LEU . 6.5 ttpm? -135.45 140.23 44.71 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.261 178.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -160.54 168.05 35.91 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -137.09 136.19 38.13 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 179.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 16' ' ' THR . . . . . 0.42 HG21 ' CE2' ' X' ' 33' ' ' TYR . 1.4 m -140.52 161.71 37.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.15 0.5 . . . . 0.0 111.673 -178.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 26.2 p -141.58 130.56 23.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.398 179.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -146.96 148.51 31.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.206 0.527 . . . . 0.0 111.733 -179.057 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.98 135.56 50.09 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.724 179.252 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 20' ' ' ALA . . . . . 0.594 ' HB3' ' CE1' ' X' ' 3' ' ' TYR . . . -144.75 176.46 9.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.286 0.565 . . . . 0.0 111.632 -179.572 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 21' ' ' VAL . . . . . . . . . . . . . 98.2 t -72.4 -38.8 61.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.932 179.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 22' ' ' ASP . . . . . 0.702 ' OD1' ' HB3' ' X' ' 24' ' ' ALA . 2.5 p30 -153.44 167.73 28.45 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.064 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 23' ' ' ALA . . . . . 0.578 ' O ' ' N ' ' X' ' 27' ' ' GLU . . . -70.35 -30.13 66.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.478 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 24' ' ' ALA . . . . . 0.702 ' HB3' ' OD1' ' X' ' 22' ' ' ASP . . . -56.64 -36.14 69.16 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 179.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 25' ' ' THR . . . . . 0.498 ' OG1' ' O ' ' X' ' 22' ' ' ASP . 3.3 p -76.84 -47.31 21.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.964 178.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 26' ' ' ALA . . . . . 0.419 ' O ' ' CD1' ' X' ' 30' ' ' PHE . . . -68.12 -38.1 81.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.442 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 27' ' ' GLU . . . . . 0.578 ' N ' ' O ' ' X' ' 23' ' ' ALA . 12.3 tt0 -54.99 -42.82 72.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 -179.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.56 -42.82 70.62 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.253 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 25.2 t -70.02 -39.47 77.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.695 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 30' ' ' PHE . . . . . 0.469 ' CE2' ' HB2' ' X' ' 5' ' ' LEU . 3.3 m-85 -62.51 -45.48 92.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.176 -179.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 31' ' ' LYS . . . . . 0.472 ' CG ' ' O ' ' X' ' 27' ' ' GLU . 13.9 mmtt -58.79 -30.75 67.82 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 32' ' ' GLN . . . . . 0.574 ' OE1' ' N ' ' X' ' 33' ' ' TYR . 0.4 OUTLIER -68.65 -32.1 71.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.987 179.329 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' X' X ' 33' ' ' TYR . . . . . 0.574 ' N ' ' OE1' ' X' ' 32' ' ' GLN . 2.1 t80 -59.3 -46.26 89.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.038 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 34' ' ' ALA . . . . . 0.463 ' HB2' ' CH2' ' X' ' 43' ' ' TRP . . . -67.71 -47.21 70.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.018 179.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -62.54 -43.22 99.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.724 179.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -65.72 -29.74 70.31 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 37' ' ' ASN . . . . . 0.925 ' O ' HG23 ' X' ' 39' ' ' VAL . 7.5 m-80 -113.5 52.98 0.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 179.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 38' ' ' GLY . . . . . 0.592 ' C ' ' O ' ' X' ' 37' ' ' ASN . . . 3.91 61.4 0.0 OUTLIER Glycine 0 CA--C 1.525 0.677 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.066 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 39' ' ' VAL . . . . . 0.925 HG23 ' O ' ' X' ' 37' ' ' ASN . 55.6 t -95.52 110.37 24.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.834 -0.347 . . . . 0.0 110.924 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -111.91 106.27 14.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.102 179.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . -158.62 -151.03 5.95 Favored Glycine 0 CA--C 1.519 0.289 0 N-CA-C 110.861 -0.895 . . . . 0.0 110.861 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 42' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -102.62 136.16 42.95 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 43' ' ' TRP . . . . . 0.587 ' CE2' HG22 ' X' ' 54' ' ' VAL . 0.6 OUTLIER -111.94 141.62 45.36 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.543 -179.907 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 6.6 t -126.53 151.19 48.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.367 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 45' ' ' TYR . . . . . 0.527 ' CE2' ' CE1' ' X' ' 52' ' ' PHE . 18.9 t80 -128.89 122.85 31.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.44 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 46' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' X' ' 50' ' ' LYS . 5.8 m-20 -120.17 118.6 30.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.454 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -76.32 -30.4 57.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.484 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.03 -32.4 61.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.6 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 49' ' ' THR . . . . . 0.465 ' O ' ' C ' ' X' ' 50' ' ' LYS . 0.2 OUTLIER -107.86 -3.34 19.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.408 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' X' X ' 50' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' X' ' 49' ' ' THR . 1.7 ptpp? 34.82 38.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.561 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 51' ' ' THR . . . . . 0.437 HG23 ' O ' ' X' ' 4' ' ' LYS . 7.0 m -120.91 137.6 54.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.607 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 52' ' ' PHE . . . . . 0.576 ' HB3' ' HE1' ' X' ' 43' ' ' TRP . 3.2 m-85 -119.63 133.18 55.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.541 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 53' ' ' THR . . . . . 0.503 HG23 ' O ' ' X' ' 6' ' ' ILE . 3.4 m -140.33 151.27 44.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.002 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 54' ' ' VAL . . . . . 0.587 HG22 ' CE2' ' X' ' 43' ' ' TRP . 0.0 OUTLIER -130.1 126.83 62.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.949 0.404 . . . . 0.0 110.811 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' X' X ' 55' ' ' THR . . . . . 0.714 HG23 ' HB2' ' X' ' 8' ' ' ASN . 11.2 m -126.1 133.31 51.69 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.15 179.643 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 56' ' ' GLU . . . . . 0.413 ' HG3' ' H ' ' X' ' 56' ' ' GLU . 3.9 mt-10 . . . . . 0 C--N 1.325 -0.499 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.505 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 1' ' ' MET . . . . . 0.719 ' SD ' ' N ' ' X' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 2' ' ' GLN . . . . . 0.811 ' NE2' ' H ' ' X' ' 2' ' ' GLN . 0.0 OUTLIER -91.78 136.5 33.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.462 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' X' X ' 3' ' ' TYR . . . . . 0.698 ' CZ ' ' O ' ' X' ' 1' ' ' MET . 0.0 OUTLIER -125.65 153.4 43.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.033 179.694 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' X' X ' 4' ' ' LYS . . . . . 0.473 ' O ' ' O ' ' X' ' 52' ' ' PHE . 9.2 ttpp -118.56 142.35 47.7 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.601 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 5' ' ' LEU . . . . . 0.465 HD22 ' CD1' ' X' ' 7' ' ' LEU . 0.2 OUTLIER -111.7 119.18 37.76 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.841 179.666 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' X' X ' 6' ' ' ILE . . . . . 0.534 ' C ' HD12 ' X' ' 7' ' ' LEU . 2.5 mm -115.46 129.68 71.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.652 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 7' ' ' LEU . . . . . 0.534 HD12 ' C ' ' X' ' 6' ' ' ILE . 6.6 mp -113.3 130.69 56.19 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.253 179.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 8' ' ' ASN . . . . . 0.518 ' C ' ' O ' ' X' ' 12' ' ' LEU . 0.7 OUTLIER -131.68 -162.44 1.23 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.571 -179.449 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . 135.34 -174.16 21.36 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.587 -1.005 . . . . 0.0 110.587 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 10' ' ' LYS . . . . . 0.707 ' CE ' ' H ' ' X' ' 10' ' ' LYS . 0.0 OUTLIER -76.05 -46.95 26.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.699 0.285 . . . . 0.0 110.824 -179.63 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' X' X ' 11' ' ' THR . . . . . . . . . . . . . 33.8 p -125.06 18.78 8.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.647 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 12' ' ' LEU . . . . . 0.518 ' O ' ' C ' ' X' ' 8' ' ' ASN . 11.3 tp -135.21 116.91 14.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.431 -179.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.4 139.11 33.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.459 178.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -163.79 154.41 25.29 Favored Glycine 0 CA--C 1.521 0.409 0 N-CA-C 110.462 -1.055 . . . . 0.0 110.462 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -129.95 137.52 50.37 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.09 160.45 39.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.116 0.484 . . . . 0.0 111.53 -179.007 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -142.26 130.99 22.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.474 179.173 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 1.2 m -142.21 152.09 42.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.0 0.428 . . . . 0.0 111.11 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -122.57 136.77 54.97 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.353 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 20' ' ' ALA . . . . . 0.543 ' HB3' ' CE1' ' X' ' 3' ' ' TYR . . . -146.68 177.15 9.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.734 -179.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 21' ' ' VAL . . . . . 0.504 HG13 ' N ' ' X' ' 22' ' ' ASP . 7.4 p -70.86 -38.88 74.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.638 178.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 22' ' ' ASP . . . . . 0.557 ' OD1' ' N ' ' X' ' 24' ' ' ALA . 2.4 p30 -155.7 169.62 23.92 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.006 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 23' ' ' ALA . . . . . 0.677 ' O ' ' N ' ' X' ' 27' ' ' GLU . . . -71.76 -29.58 64.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.461 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 24' ' ' ALA . . . . . 0.557 ' N ' ' OD1' ' X' ' 22' ' ' ASP . . . -56.62 -38.98 72.84 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 179.59 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 25' ' ' THR . . . . . 0.453 ' N ' ' OD1' ' X' ' 22' ' ' ASP . 20.3 p -77.73 -47.63 18.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.192 179.047 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 26' ' ' ALA . . . . . 0.708 ' HB1' ' CE2' ' X' ' 30' ' ' PHE . . . -68.42 -38.22 81.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.807 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 27' ' ' GLU . . . . . 0.677 ' N ' ' O ' ' X' ' 23' ' ' ALA . 69.5 tt0 -54.45 -42.73 70.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.819 -179.309 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.6 -37.89 80.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.879 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 25.5 t -69.85 -39.56 77.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.784 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 30' ' ' PHE . . . . . 0.708 ' CE2' ' HB1' ' X' ' 26' ' ' ALA . 32.3 m-85 -65.08 -44.13 89.9 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.05 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 8.1 mmtp -57.34 -30.59 64.94 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -67.92 -30.99 70.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.604 178.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -59.67 -46.49 88.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.188 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.01 -45.08 86.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.942 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.54 -41.27 80.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.273 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -64.03 -30.26 71.35 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 37' ' ' ASN . . . . . 0.984 ' O ' HG23 ' X' ' 39' ' ' VAL . 25.7 m120 -114.29 53.03 0.81 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.274 -0.876 . . . . 0.0 108.692 179.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 38' ' ' GLY . . . . . 0.572 ' C ' ' O ' ' X' ' 37' ' ' ASN . . . 2.95 60.28 0.0 OUTLIER Glycine 0 CA--C 1.524 0.625 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.18 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 39' ' ' VAL . . . . . 0.984 HG23 ' O ' ' X' ' 37' ' ' ASN . 51.9 t -95.51 123.45 47.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.022 0.439 . . . . 0.0 110.788 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -118.27 107.67 14.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.006 179.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . -160.24 -145.6 4.33 Favored Glycine 0 CA--C 1.517 0.192 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 42' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' X' ' 55' ' ' THR . 0.3 OUTLIER -101.09 137.54 39.31 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.811 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' X' X ' 43' ' ' TRP . . . . . 0.452 ' CE2' ' HB ' ' X' ' 54' ' ' VAL . 2.1 m95 -111.34 141.17 45.23 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.43 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -135.07 165.79 24.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.355 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 45' ' ' TYR . . . . . 0.56 ' CD1' ' CZ ' ' X' ' 52' ' ' PHE . 4.6 t80 -156.19 133.62 10.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.544 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 46' ' ' ASP . . . . . 0.506 ' N ' ' CD1' ' X' ' 45' ' ' TYR . 3.8 m-20 -121.05 121.28 37.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.577 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 47' ' ' ASP . . . . . 0.508 ' N ' ' OD1' ' X' ' 47' ' ' ASP . 10.6 p30 -77.34 -31.37 54.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.447 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.16 -32.89 44.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.668 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 49' ' ' THR . . . . . 0.47 ' O ' ' C ' ' X' ' 50' ' ' LYS . 0.2 OUTLIER -101.93 -0.96 33.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.795 -179.912 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' X' X ' 50' ' ' LYS . . . . . 0.47 ' C ' ' O ' ' X' ' 49' ' ' THR . 5.4 pttm 34.84 43.29 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.526 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 51' ' ' THR . . . . . . . . . . . . . 98.1 m -120.46 137.13 54.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.497 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 52' ' ' PHE . . . . . 0.56 ' CZ ' ' CD1' ' X' ' 45' ' ' TYR . 17.3 m-85 -115.81 131.21 57.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.228 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 53' ' ' THR . . . . . 0.437 ' CG2' ' N ' ' X' ' 54' ' ' VAL . 3.0 m -144.54 154.87 43.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.829 -179.548 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 54' ' ' VAL . . . . . 0.452 ' HB ' ' CE2' ' X' ' 43' ' ' TRP . 1.6 p -133.09 124.13 49.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.1 179.24 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 55' ' ' THR . . . . . 0.444 ' O ' ' N ' ' X' ' 42' ' ' GLU . 0.3 OUTLIER -125.98 136.71 53.31 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 179.72 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' X' X ' 56' ' ' GLU . . . . . 0.409 ' HG3' ' H ' ' X' ' 56' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--N 1.32 -0.679 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.507 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 1' ' ' MET . . . . . 0.697 ' O ' ' CZ ' ' X' ' 3' ' ' TYR . 2.9 ppp? . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 2' ' ' GLN . . . . . 0.667 ' H ' ' CD ' ' X' ' 2' ' ' GLN . 0.0 OUTLIER -92.56 132.37 36.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.101 -179.572 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' X' X ' 3' ' ' TYR . . . . . 0.697 ' CZ ' ' O ' ' X' ' 1' ' ' MET . 0.0 OUTLIER -125.82 151.03 47.33 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.525 179.608 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -119.72 143.56 47.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.57 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 5' ' ' LEU . . . . . 0.475 HD12 ' HD1' ' X' ' 30' ' ' PHE . 0.1 OUTLIER -119.3 123.31 43.91 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.157 179.803 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' X' X ' 6' ' ' ILE . . . . . 0.719 ' C ' HD22 ' X' ' 7' ' ' LEU . 1.7 mm -116.15 133.93 61.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.185 179.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 7' ' ' LEU . . . . . 0.762 HD12 HG21 ' X' ' 39' ' ' VAL . 4.4 mm? -112.65 128.33 56.36 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.033 0.444 . . . . 0.0 110.527 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 8' ' ' ASN . . . . . 0.423 ' HB3' HG23 ' X' ' 55' ' ' THR . 0.9 OUTLIER -133.67 -162.55 1.26 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.315 -179.489 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . 135.28 -158.23 23.53 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 10' ' ' LYS . . . . . 0.454 ' NZ ' ' O ' ' X' ' 56' ' ' GLU . 19.8 mmtt -70.54 -65.86 0.68 Allowed 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 121.583 0.706 . . . . 0.0 110.18 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 11' ' ' THR . . . . . 0.819 ' O ' HG22 ' X' ' 11' ' ' THR . 5.0 m -128.17 22.99 6.08 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 114.467 -1.242 . . . . 0.0 110.198 -178.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 12' ' ' LEU . . . . . 0.65 HD13 ' C ' ' X' ' 12' ' ' LEU . 1.0 OUTLIER -122.82 106.72 11.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.437 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' X' X ' 13' ' ' LYS . . . . . 0.574 ' N ' HD13 ' X' ' 12' ' ' LEU . 0.2 OUTLIER -131.57 139.56 49.24 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.976 0.417 . . . . 0.0 110.51 179.32 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' X' X ' 14' ' ' GLY . . . . . 0.497 ' O ' ' N ' ' X' ' 7' ' ' LEU . . . -158.93 149.92 20.23 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 110.614 -0.995 . . . . 0.0 110.614 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -130.1 136.4 49.28 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 16' ' ' THR . . . . . 0.609 ' HG1' ' HH ' ' X' ' 33' ' ' TYR . 1.8 m -140.32 159.12 42.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.041 0.448 . . . . 0.0 111.229 -179.067 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 17' ' ' THR . . . . . 0.533 ' N ' ' CG2' ' X' ' 16' ' ' THR . 9.8 t -142.31 130.7 22.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.77 179.197 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 1.9 m -145.4 152.56 40.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.938 0.399 . . . . 0.0 111.012 -179.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -124.36 135.2 53.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.325 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 20' ' ' ALA . . . . . 0.491 ' HB3' ' HH ' ' X' ' 3' ' ' TYR . . . -140.35 178.09 7.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.024 -179.522 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 21' ' ' VAL . . . . . . . . . . . . . 45.7 t -70.07 -38.8 76.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.406 178.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 22' ' ' ASP . . . . . 0.564 ' C ' ' OH ' ' X' ' 3' ' ' TYR . 53.1 p30 -155.6 172.33 18.46 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.998 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 23' ' ' ALA . . . . . 0.66 ' O ' ' N ' ' X' ' 27' ' ' GLU . . . -73.17 -30.54 63.64 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.742 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.29 -39.6 72.95 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 25' ' ' THR . . . . . 0.401 ' H ' ' HG1' ' X' ' 25' ' ' THR . 36.3 p -78.6 -47.02 17.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.276 178.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 26' ' ' ALA . . . . . 0.593 ' HB1' ' CE2' ' X' ' 30' ' ' PHE . . . -67.81 -37.6 82.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.726 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 27' ' ' GLU . . . . . 0.66 ' N ' ' O ' ' X' ' 23' ' ' ALA . 68.5 tt0 -54.01 -42.28 68.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.854 -179.319 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 28' ' ' LYS . . . . . 0.41 ' HD2' ' N ' ' X' ' 28' ' ' LYS . 0.0 OUTLIER -65.18 -38.2 89.75 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.177 179.823 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 61.6 t -69.88 -39.33 77.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.812 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 30' ' ' PHE . . . . . 0.593 ' CE2' ' HB1' ' X' ' 26' ' ' ALA . 38.8 m-85 -66.19 -42.93 88.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.114 -179.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 31' ' ' LYS . . . . . 0.454 ' CG ' ' O ' ' X' ' 27' ' ' GLU . 0.1 OUTLIER -56.81 -32.09 65.36 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -67.49 -30.22 69.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.884 178.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 33' ' ' TYR . . . . . 0.609 ' HH ' ' HG1' ' X' ' 16' ' ' THR . 3.6 t80 -58.28 -46.59 85.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.313 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 34' ' ' ALA . . . . . 0.449 ' HB2' ' HZ2' ' X' ' 43' ' ' TRP . . . -63.5 -45.45 90.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.119 179.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -68.01 -40.99 82.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.362 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -66.25 -31.03 71.6 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.145 0.497 . . . . 0.0 109.973 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 37' ' ' ASN . . . . . 0.944 ' O ' HG23 ' X' ' 39' ' ' VAL . 25.6 m120 -111.32 53.35 0.71 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.535 -0.757 . . . . 0.0 108.972 179.426 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 38' ' ' GLY . . . . . 0.593 ' C ' ' O ' ' X' ' 37' ' ' ASN . . . 3.55 58.8 0.0 OUTLIER Glycine 0 CA--C 1.524 0.626 0 O-C-N 123.694 0.622 . . . . 0.0 112.237 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 39' ' ' VAL . . . . . 0.944 HG23 ' O ' ' X' ' 37' ' ' ASN . 39.9 t -96.71 131.96 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.863 0.363 . . . . 0.0 110.829 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -125.72 106.65 9.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.077 179.233 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . -160.41 -146.97 4.77 Favored Glycine 0 CA--C 1.516 0.138 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 42' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -101.92 140.57 36.02 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 178.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 43' ' ' TRP . . . . . 0.449 ' HZ2' ' HB2' ' X' ' 34' ' ' ALA . 9.0 m95 -112.33 142.33 44.97 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.089 0.471 . . . . 0.0 110.686 -179.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.83 170.01 16.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.203 179.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 45' ' ' TYR . . . . . 0.702 ' CE2' ' CZ ' ' X' ' 52' ' ' PHE . 21.6 t80 -151.75 131.34 13.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.639 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -122.73 114.24 20.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.521 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 47' ' ' ASP . . . . . 0.608 ' O ' ' CE ' ' X' ' 50' ' ' LYS . 0.7 OUTLIER -77.18 -29.57 54.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.737 -179.793 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.56 -33.27 47.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.109 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 49' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.76 -3.29 17.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.936 -179.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 50' ' ' LYS . . . . . 0.608 ' CE ' ' O ' ' X' ' 47' ' ' ASP . 27.5 mmtp 43.5 33.5 0.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.22 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 51' ' ' THR . . . . . 0.464 ' C ' ' CD1' ' X' ' 52' ' ' PHE . 82.7 m -113.97 117.7 32.08 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.848 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 52' ' ' PHE . . . . . 0.702 ' CZ ' ' CE2' ' X' ' 45' ' ' TYR . 0.6 OUTLIER -117.64 132.22 56.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.168 179.606 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' X' X ' 53' ' ' THR . . . . . . . . . . . . . 41.2 p -144.71 158.34 43.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.554 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 54' ' ' VAL . . . . . . . . . . . . . 2.4 p -127.39 126.44 67.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 179.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 55' ' ' THR . . . . . 0.423 HG23 ' HB3' ' X' ' 8' ' ' ASN . 4.5 m -125.23 131.19 53.18 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 56' ' ' GLU . . . . . 0.454 ' O ' ' NZ ' ' X' ' 10' ' ' LYS . 2.2 mt-10 . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.642 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 1' ' ' MET . . . . . 0.687 ' O ' ' CZ ' ' X' ' 3' ' ' TYR . 5.3 ptm . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 2' ' ' GLN . . . . . 0.417 ' H ' ' HG3' ' X' ' 2' ' ' GLN . 0.9 OUTLIER -92.32 135.53 33.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.682 -179.834 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' X' X ' 3' ' ' TYR . . . . . 0.687 ' CZ ' ' O ' ' X' ' 1' ' ' MET . 0.0 OUTLIER -123.48 149.12 45.52 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.33 179.753 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 8.1 tttp -118.86 143.27 47.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.339 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 5' ' ' LEU . . . . . 0.657 ' C ' HD12 ' X' ' 6' ' ' ILE . 0.2 OUTLIER -117.22 120.78 39.3 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.249 -179.907 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' X' X ' 6' ' ' ILE . . . . . 0.657 HD12 ' C ' ' X' ' 5' ' ' LEU . 1.8 mp -115.69 132.77 64.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.16 179.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 7' ' ' LEU . . . . . 0.58 HD22 ' C ' ' X' ' 6' ' ' ILE . 4.5 mm? -112.94 131.58 55.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.606 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 8' ' ' ASN . . . . . 0.472 ' CB ' HG23 ' X' ' 55' ' ' THR . 0.9 OUTLIER -131.42 -168.48 2.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.17 179.893 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . 128.72 -161.74 22.34 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 10' ' ' LYS . . . . . 0.427 ' H ' ' CD ' ' X' ' 10' ' ' LYS . 0.0 OUTLIER -66.76 -77.93 0.06 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.948 0.404 . . . . 0.0 110.12 179.684 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' X' X ' 11' ' ' THR . . . . . 0.44 ' O ' ' OG1' ' X' ' 11' ' ' THR . 0.7 OUTLIER -113.02 21.31 15.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.386 179.692 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' X' X ' 12' ' ' LEU . . . . . 0.636 HD13 ' C ' ' X' ' 12' ' ' LEU . 0.5 OUTLIER -116.52 100.32 7.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.032 -179.91 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' X' X ' 13' ' ' LYS . . . . . 0.498 ' N ' HD13 ' X' ' 12' ' ' LEU . 8.0 ttmt -132.96 139.24 47.2 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.039 178.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -159.53 165.51 34.5 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -137.27 137.64 39.24 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.09 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.92 160.28 39.09 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.436 -0.506 . . . . 0.0 111.811 -178.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 76.2 p -142.81 129.54 20.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.084 179.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.79 150.56 35.55 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.236 -0.585 . . . . 0.0 111.781 -179.002 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -128.1 127.16 42.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.041 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 20' ' ' ALA . . . . . 0.513 ' HB3' ' HH ' ' X' ' 3' ' ' TYR . . . -141.99 178.64 7.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.11 0.481 . . . . 0.0 111.173 -179.383 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 21' ' ' VAL . . . . . . . . . . . . . 58.5 t -69.53 -39.26 78.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.359 178.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 22' ' ' ASP . . . . . 0.548 ' C ' ' OH ' ' X' ' 3' ' ' TYR . 13.4 p30 -155.62 171.73 19.46 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.959 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 23' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' X' ' 27' ' ' GLU . . . -72.61 -30.68 64.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.601 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.65 -36.69 69.81 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 25' ' ' THR . . . . . 0.53 ' O ' ' CG1' ' X' ' 29' ' ' VAL . 37.8 p -76.44 -44.86 33.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.459 178.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.3 -38.96 82.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.022 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 27' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' X' ' 23' ' ' ALA . 35.6 tt0 -54.6 -48.54 72.04 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -178.482 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -60.42 -47.5 85.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.941 0.4 . . . . 0.0 110.727 -179.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 29' ' ' VAL . . . . . 0.53 ' CG1' ' O ' ' X' ' 25' ' ' THR . 0.5 OUTLIER -70.26 -35.68 64.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.596 179.54 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' X' X ' 30' ' ' PHE . . . . . 0.5 ' CD2' ' HG ' ' X' ' 5' ' ' LEU . 0.9 OUTLIER -58.62 -45.09 89.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.61 -179.78 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -57.5 -29.15 64.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.761 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 32' ' ' GLN . . . . . 0.515 ' O ' ' N ' ' X' ' 36' ' ' ASP . 4.0 tt0 -66.93 -31.08 71.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.087 179.081 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -58.83 -46.41 87.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.055 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.19 -45.99 62.24 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.09 -43.87 98.22 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.498 179.011 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 36' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' X' ' 32' ' ' GLN . 11.1 t70 -66.35 -29.44 69.63 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 37' ' ' ASN . . . . . 0.769 ' O ' HG23 ' X' ' 39' ' ' VAL . 0.1 OUTLIER -112.21 52.21 0.78 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 179.005 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' X' X ' 38' ' ' GLY . . . . . 0.567 ' C ' ' O ' ' X' ' 37' ' ' ASN . . . 2.92 58.45 0.0 OUTLIER Glycine 0 CA--C 1.527 0.826 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.555 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 39' ' ' VAL . . . . . 0.769 HG23 ' O ' ' X' ' 37' ' ' ASN . 6.5 t -95.77 124.46 48.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -120.39 107.21 12.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.018 179.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . -158.35 -150.47 5.78 Favored Glycine 0 CA--C 1.517 0.208 0 N-CA-C 111.442 -0.663 . . . . 0.0 111.442 -179.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 42' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -102.59 141.24 35.73 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 43' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -115.52 148.65 39.26 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.843 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 2.0 t -139.29 160.3 40.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.256 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 45' ' ' TYR . . . . . 0.739 ' CD1' ' CZ ' ' X' ' 52' ' ' PHE . 6.2 t80 -147.06 132.57 18.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.999 0.428 . . . . 0.0 110.857 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 46' ' ' ASP . . . . . 0.468 ' N ' ' CD1' ' X' ' 45' ' ' TYR . 37.3 m-20 -122.87 119.81 31.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.287 179.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.9 -27.75 60.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.613 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.12 -31.02 62.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.421 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 49' ' ' THR . . . . . 0.455 ' OG1' ' CB ' ' X' ' 46' ' ' ASP . 13.2 p -109.31 -2.8 17.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.778 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 50' ' ' LYS . . . . . 0.564 ' CD ' ' H2 ' ' X' ' 1' ' ' MET . 0.6 OUTLIER 37.65 48.34 0.92 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.016 -179.838 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' X' X ' 51' ' ' THR . . . . . . . . . . . . . 4.8 m -129.06 146.49 51.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.661 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 52' ' ' PHE . . . . . 0.739 ' CZ ' ' CD1' ' X' ' 45' ' ' TYR . 21.0 m-85 -122.56 131.42 53.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.673 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 53' ' ' THR . . . . . . . . . . . . . 4.5 m -141.43 151.49 43.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.291 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 54' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -129.9 129.2 65.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.897 0.38 . . . . 0.0 110.278 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 55' ' ' THR . . . . . 0.472 HG23 ' CB ' ' X' ' 8' ' ' ASN . 6.1 m -125.08 131.66 53.28 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.199 179.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.955 -1.021 . . . . 0.0 110.608 -179.845 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' X' X ' 1' ' ' MET . . . . . 0.696 ' O ' ' CZ ' ' X' ' 3' ' ' TYR . 2.4 ptp . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 2' ' ' GLN . . . . . 0.812 ' NE2' ' H ' ' X' ' 2' ' ' GLN . 0.0 OUTLIER -92.04 127.59 37.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.995 0.426 . . . . 0.0 110.774 -179.754 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' X' X ' 3' ' ' TYR . . . . . 0.707 ' CD1' ' N ' ' X' ' 3' ' ' TYR . 0.0 OUTLIER -125.55 151.84 45.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.264 179.844 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 10.5 ptpp? -118.35 141.53 48.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.136 0.493 . . . . 0.0 110.498 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 5' ' ' LEU . . . . . 0.75 ' C ' HD13 ' X' ' 5' ' ' LEU . 2.2 tm? -118.11 108.97 15.84 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.074 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 6' ' ' ILE . . . . . 0.49 ' N ' HD22 ' X' ' 5' ' ' LEU . 0.0 OUTLIER -116.17 133.62 62.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.085 179.901 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' X' X ' 7' ' ' LEU . . . . . 0.445 HD13 HG21 ' X' ' 39' ' ' VAL . 17.3 mt -110.14 130.73 55.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.842 0.353 . . . . 0.0 110.081 179.518 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -125.12 -163.97 1.24 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.376 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . 134.3 -160.24 24.09 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 10' ' ' LYS . . . . . 0.411 ' HD2' ' H ' ' X' ' 10' ' ' LYS . 1.6 mptt -61.77 -81.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.977 0.417 . . . . 0.0 110.666 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 11' ' ' THR . . . . . 0.405 ' H ' ' HB2' ' X' ' 10' ' ' LYS . 3.6 t -110.55 18.5 19.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.078 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 tp -112.38 112.38 23.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.776 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -134.87 139.7 45.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.597 179.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -162.0 145.8 11.24 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 15' ' ' GLU . . . . . 0.638 ' OE1' ' N ' ' X' ' 15' ' ' GLU . 0.0 OUTLIER -132.78 134.98 45.4 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 178.896 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -141.3 159.64 41.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.22 0.533 . . . . 0.0 111.675 -178.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.09 132.36 20.57 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.319 179.016 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.41 152.39 40.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.819 -179.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -118.84 126.86 52.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.133 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 20' ' ' ALA . . . . . . . . . . . . . . . -137.07 177.48 7.83 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.193 0.52 . . . . 0.0 111.224 -179.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 21' ' ' VAL . . . . . . . . . . . . . 6.5 t -72.41 -37.24 57.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.571 179.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 22' ' ' ASP . . . . . 0.548 ' OD1' ' N ' ' X' ' 24' ' ' ALA . 2.3 p30 -154.71 171.28 19.8 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.077 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 23' ' ' ALA . . . . . 0.407 ' HA ' ' CE2' ' X' ' 3' ' ' TYR . . . -72.44 -30.52 64.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.653 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 24' ' ' ALA . . . . . 0.548 ' N ' ' OD1' ' X' ' 22' ' ' ASP . . . -56.74 -36.49 69.82 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 25' ' ' THR . . . . . 0.516 ' N ' ' OD1' ' X' ' 22' ' ' ASP . 41.2 p -76.59 -46.31 26.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.316 179.196 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.44 -37.79 83.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.879 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 27' ' ' GLU . . . . . 0.511 ' O ' ' CG ' ' X' ' 31' ' ' LYS . 16.0 tt0 -54.92 -42.71 72.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.281 -179.078 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -66.31 -45.49 80.17 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.525 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 25.2 t -69.73 -39.87 78.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.319 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 30' ' ' PHE . . . . . 0.437 ' CD2' ' HB2' ' X' ' 5' ' ' LEU . 3.9 m-30 -62.05 -44.45 96.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.769 -179.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 31' ' ' LYS . . . . . 0.511 ' CG ' ' O ' ' X' ' 27' ' ' GLU . 18.6 mmtt -58.18 -29.65 65.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.721 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 32' ' ' GLN . . . . . 0.587 ' O ' ' N ' ' X' ' 36' ' ' ASP . 41.3 tp60 -62.52 -32.14 73.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.85 179.14 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -60.04 -47.24 86.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.04 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.19 -47.13 71.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.713 179.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -65.78 -42.88 90.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.806 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 36' ' ' ASP . . . . . 0.587 ' N ' ' O ' ' X' ' 32' ' ' GLN . 12.0 t70 -63.02 -27.96 69.77 Favored 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 179.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 37' ' ' ASN . . . . . 0.953 ' O ' HG23 ' X' ' 39' ' ' VAL . 24.4 m120 -119.47 52.82 1.07 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.127 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 38' ' ' GLY . . . . . 0.597 ' C ' ' O ' ' X' ' 37' ' ' ASN . . . 1.52 62.69 0.0 OUTLIER Glycine 0 CA--C 1.523 0.589 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.97 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 39' ' ' VAL . . . . . 0.953 HG23 ' O ' ' X' ' 37' ' ' ASN . 55.1 t -94.67 127.88 46.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.831 0.348 . . . . 0.0 110.687 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -121.79 107.6 12.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.125 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . -157.07 -152.0 6.18 Favored Glycine 0 CA--C 1.519 0.285 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 42' ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -102.38 136.51 42.09 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 179.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 43' ' ' TRP . . . . . 0.528 ' CE3' HG13 ' X' ' 54' ' ' VAL . 0.7 OUTLIER -112.62 142.04 45.68 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.626 -179.882 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.68 151.26 51.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.353 179.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 45' ' ' TYR . . . . . 0.658 ' CD1' ' CE1' ' X' ' 52' ' ' PHE . 5.6 t80 -142.84 123.95 14.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.287 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.58 133.14 56.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.272 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -77.49 -32.89 54.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.981 0.419 . . . . 0.0 110.618 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.71 -32.31 60.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.28 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 49' ' ' THR . . . . . 0.545 ' O ' ' C ' ' X' ' 50' ' ' LYS . 0.2 OUTLIER -104.37 -2.08 25.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.427 179.895 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' X' X ' 50' ' ' LYS . . . . . 0.562 ' CG ' ' O ' ' X' ' 50' ' ' LYS . 0.2 OUTLIER 26.12 49.8 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.621 -179.734 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' X' X ' 51' ' ' THR . . . . . 0.422 ' N ' ' O ' ' X' ' 49' ' ' THR . 2.6 m -125.45 143.56 50.93 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.58 -179.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 52' ' ' PHE . . . . . 0.658 ' CE1' ' CD1' ' X' ' 45' ' ' TYR . 19.0 m-85 -117.39 132.66 56.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.403 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 53' ' ' THR . . . . . 0.444 ' CG2' ' N ' ' X' ' 54' ' ' VAL . 1.3 m -142.28 154.28 44.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.479 -179.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 54' ' ' VAL . . . . . 0.528 HG13 ' CE3' ' X' ' 43' ' ' TRP . 0.1 OUTLIER -129.45 124.58 60.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.133 179.505 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' X' X ' 55' ' ' THR . . . . . . . . . . . . . 2.3 m -125.78 128.47 47.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.247 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.524 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 1' ' ' MET . . . . . 0.693 ' O ' ' CZ ' ' X' ' 3' ' ' TYR . 13.0 ptm . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 2' ' ' GLN . . . . . 0.849 ' NE2' ' H ' ' X' ' 2' ' ' GLN . 0.0 OUTLIER -91.73 124.41 35.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.124 0.488 . . . . 0.0 110.867 -179.614 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' X' X ' 3' ' ' TYR . . . . . 0.693 ' CZ ' ' O ' ' X' ' 1' ' ' MET . 0.0 OUTLIER -117.8 147.03 43.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.923 179.576 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -118.65 143.11 47.04 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.351 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 5' ' ' LEU . . . . . 0.564 ' C ' HD12 ' X' ' 6' ' ' ILE . 13.4 tp -113.85 130.23 56.5 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.417 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 6' ' ' ILE . . . . . 0.614 ' C ' HD22 ' X' ' 7' ' ' LEU . 1.7 mp -116.7 134.46 60.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.42 179.365 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 7' ' ' LEU . . . . . 0.942 ' N ' HD22 ' X' ' 7' ' ' LEU . 1.4 mm? -111.08 128.9 56.02 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.335 179.366 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 8' ' ' ASN . . . . . 0.502 ' C ' ' O ' ' X' ' 12' ' ' LEU . 16.3 m-20 -133.77 -163.27 1.34 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.354 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.94 -168.96 23.09 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.841 -0.903 . . . . 0.0 110.841 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.23 -57.08 4.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.769 0.319 . . . . 0.0 110.803 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -122.51 22.64 9.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.593 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 12' ' ' LEU . . . . . 0.502 ' O ' ' C ' ' X' ' 8' ' ' ASN . 6.6 tp -133.18 112.21 11.54 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.749 -0.381 . . . . 0.0 111.52 -179.306 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 17.2 ttpt -140.51 138.85 34.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.411 178.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -163.27 169.74 38.47 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.306 -1.118 . . . . 0.0 110.306 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -139.64 136.96 34.85 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 179.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 16' ' ' THR . . . . . 0.516 ' CG2' ' N ' ' X' ' 17' ' ' THR . 1.6 m -138.94 158.14 44.75 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.803 -179.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 17' ' ' THR . . . . . 0.516 ' N ' ' CG2' ' X' ' 16' ' ' THR . 3.0 t -139.96 135.74 33.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.648 179.238 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -143.93 150.94 39.14 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.222 0.534 . . . . 0.0 111.12 -179.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -125.17 129.74 50.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.846 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 20' ' ' ALA . . . . . 0.442 ' HB3' ' CE1' ' X' ' 3' ' ' TYR . . . -138.71 177.88 7.56 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.312 0.577 . . . . 0.0 111.346 -179.216 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 21' ' ' VAL . . . . . 0.45 HG22 ' H ' ' X' ' 21' ' ' VAL . 0.1 OUTLIER -70.62 -38.6 73.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.511 178.891 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' X' X ' 22' ' ' ASP . . . . . 0.562 ' C ' ' OH ' ' X' ' 3' ' ' TYR . 4.4 p30 -155.87 172.74 17.84 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.072 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.82 -30.91 64.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.505 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.32 -36.15 68.38 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 25' ' ' THR . . . . . 0.614 ' O ' HG23 ' X' ' 29' ' ' VAL . 12.0 p -77.82 -42.89 32.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.091 178.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 26' ' ' ALA . . . . . 0.664 ' O ' ' CD2' ' X' ' 30' ' ' PHE . . . -64.31 -39.18 93.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.062 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 27' ' ' GLU . . . . . 0.653 ' O ' ' CG ' ' X' ' 31' ' ' LYS . 5.3 pt-20 -55.06 -45.2 75.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.763 0.316 . . . . 0.0 110.575 -179.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 28' ' ' LYS . . . . . 0.567 ' N ' ' CG ' ' X' ' 27' ' ' GLU . 0.2 OUTLIER -73.39 -38.85 65.49 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.954 179.826 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' X' X ' 29' ' ' VAL . . . . . 0.614 HG23 ' O ' ' X' ' 25' ' ' THR . 93.9 t -71.17 -54.86 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -178.317 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 30' ' ' PHE . . . . . 0.664 ' CD2' ' O ' ' X' ' 26' ' ' ALA . 3.9 p90 -74.8 -29.98 61.27 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 119.843 -0.743 . . . . 0.0 112.485 -178.05 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 31' ' ' LYS . . . . . 0.653 ' CG ' ' O ' ' X' ' 27' ' ' GLU . 18.4 mmtp -55.61 -29.33 58.95 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 119.723 -0.791 . . . . 0.0 109.129 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -64.73 -30.82 71.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.771 179.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 33' ' ' TYR . . . . . 0.573 ' C ' ' CD1' ' X' ' 33' ' ' TYR . 4.3 t80 -57.89 -44.66 86.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.339 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.33 -45.92 68.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 109.927 179.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 35' ' ' ASN . . . . . 0.428 ' N ' ' OD1' ' X' ' 35' ' ' ASN . 1.3 m-20 -62.41 -42.44 99.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.95 179.459 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -65.8 -30.15 70.74 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 37' ' ' ASN . . . . . 0.943 ' O ' HG23 ' X' ' 39' ' ' VAL . 1.2 t-20 -112.41 52.92 0.75 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 179.093 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 38' ' ' GLY . . . . . 0.587 ' C ' ' O ' ' X' ' 37' ' ' ASN . . . 3.74 60.77 0.0 OUTLIER Glycine 0 CA--C 1.524 0.615 0 CA-C-N 115.65 -0.704 . . . . 0.0 112.049 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 39' ' ' VAL . . . . . 0.943 HG23 ' O ' ' X' ' 37' ' ' ASN . 52.3 t -94.89 109.64 22.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.708 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -109.87 108.45 18.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.045 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . -156.35 -151.11 5.84 Favored Glycine 0 CA--C 1.519 0.308 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 42' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -101.68 133.04 47.01 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 43' ' ' TRP . . . . . 0.568 ' HE1' ' HB3' ' X' ' 52' ' ' PHE . 0.6 OUTLIER -114.09 144.05 43.77 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.847 -179.751 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 3.2 p -133.99 153.76 51.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.179 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 45' ' ' TYR . . . . . 0.775 ' CD1' ' CE2' ' X' ' 52' ' ' PHE . 2.9 t80 -144.16 125.02 14.25 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.556 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 46' ' ' ASP . . . . . 0.418 ' N ' ' CD1' ' X' ' 45' ' ' TYR . 6.2 t0 -117.61 132.81 56.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.218 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.71 -32.59 53.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.913 0.387 . . . . 0.0 110.567 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.53 -32.58 58.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.418 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 49' ' ' THR . . . . . 0.538 ' O ' ' C ' ' X' ' 50' ' ' LYS . 0.3 OUTLIER -102.89 -1.9 28.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.331 179.73 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' X' X ' 50' ' ' LYS . . . . . 0.538 ' C ' ' O ' ' X' ' 49' ' ' THR . 5.1 ptmt 26.65 46.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.65 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 51' ' ' THR . . . . . 0.466 ' N ' ' O ' ' X' ' 49' ' ' THR . 2.5 m -125.76 137.72 53.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.46 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 52' ' ' PHE . . . . . 0.775 ' CE2' ' CD1' ' X' ' 45' ' ' TYR . 34.2 m-85 -119.44 132.43 55.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.712 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 53' ' ' THR . . . . . 0.44 ' CG2' ' N ' ' X' ' 54' ' ' VAL . 1.4 m -142.4 154.51 44.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.452 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 54' ' ' VAL . . . . . 0.44 ' N ' ' CG2' ' X' ' 53' ' ' THR . 5.2 p -130.3 127.15 62.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.896 0.379 . . . . 0.0 110.665 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 55' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -125.73 134.67 51.7 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.675 179.363 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 56' ' ' GLU . . . . . 0.412 ' H ' ' HG3' ' X' ' 56' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.669 0 CA-C-O 118.003 -0.999 . . . . 0.0 110.607 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 1' ' ' MET . . . . . 0.691 ' O ' ' CZ ' ' X' ' 3' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 2' ' ' GLN . . . . . 0.737 ' NE2' ' H ' ' X' ' 2' ' ' GLN . 0.0 OUTLIER -91.82 136.98 32.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.459 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' X' X ' 3' ' ' TYR . . . . . 0.764 ' CD1' ' N ' ' X' ' 3' ' ' TYR . 0.0 OUTLIER -124.88 151.41 45.36 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.169 179.76 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . 0.529 ' H ' HG23 ' X' ' 51' ' ' THR . 32.5 tttm -118.21 142.24 47.67 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.357 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 5' ' ' LEU . . . . . 0.658 HD22 ' CD2' ' X' ' 7' ' ' LEU . 0.5 OUTLIER -113.73 121.69 44.85 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.129 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' X' X ' 6' ' ' ILE . . . . . 0.576 ' C ' HD22 ' X' ' 7' ' ' LEU . 2.0 mm -115.51 132.2 65.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.547 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 7' ' ' LEU . . . . . 0.658 ' CD2' HD22 ' X' ' 5' ' ' LEU . 4.4 mm? -113.68 127.73 56.15 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.847 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 8' ' ' ASN . . . . . 0.43 ' O ' ' O ' ' X' ' 12' ' ' LEU . 84.2 m-20 -128.21 -164.66 1.4 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.135 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.8 -165.82 24.12 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.846 -0.901 . . . . 0.0 110.846 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 10' ' ' LYS . . . . . 0.456 ' HD3' ' N ' ' X' ' 10' ' ' LYS . 10.7 mmtp -74.04 -61.07 1.98 Allowed 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.323 0.582 . . . . 0.0 110.36 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.14 18.44 10.78 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.711 -179.238 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 12' ' ' LEU . . . . . 0.612 HD13 ' C ' ' X' ' 12' ' ' LEU . 0.5 OUTLIER -125.37 105.78 9.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.846 -179.803 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' X' X ' 13' ' ' LYS . . . . . 0.585 ' N ' HD13 ' X' ' 12' ' ' LEU . 3.0 ttpm? -131.88 139.26 48.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.125 178.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 14' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' X' ' 7' ' ' LEU . . . -163.1 152.65 22.85 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.674 -0.97 . . . . 0.0 110.674 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -129.32 138.42 51.57 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 16' ' ' THR . . . . . 0.625 HG21 ' CE2' ' X' ' 33' ' ' TYR . 0.2 OUTLIER -135.98 162.12 33.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.295 0.569 . . . . 0.0 111.831 -178.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -143.12 129.54 20.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.377 178.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 1.9 m -144.29 151.93 40.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.971 0.415 . . . . 0.0 110.887 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -124.25 135.55 53.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.481 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 20' ' ' ALA . . . . . 0.538 ' O ' ' SD ' ' X' ' 1' ' ' MET . . . -148.91 176.9 10.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 21' ' ' VAL . . . . . . . . . . . . . 23.0 t -71.43 -38.54 69.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.55 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 22' ' ' ASP . . . . . 0.746 ' OD1' ' HB3' ' X' ' 24' ' ' ALA . 3.3 p30 -154.95 169.98 22.79 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.952 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 23' ' ' ALA . . . . . 0.551 ' O ' ' N ' ' X' ' 27' ' ' GLU . . . -72.15 -29.1 63.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.638 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 24' ' ' ALA . . . . . 0.746 ' HB3' ' OD1' ' X' ' 22' ' ' ASP . . . -55.66 -37.9 68.88 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 25' ' ' THR . . . . . . . . . . . . . 15.3 p -76.64 -44.86 32.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.806 178.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.21 -36.49 83.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.43 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 27' ' ' GLU . . . . . 0.551 ' N ' ' O ' ' X' ' 23' ' ' ALA . 19.7 tt0 -53.92 -45.71 71.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.286 -178.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 9.2 mmtp -64.62 -47.09 79.84 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.84 -179.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 29' ' ' VAL . . . . . 0.401 ' O ' ' HB3' ' X' ' 32' ' ' GLN . 0.6 OUTLIER -70.26 -36.23 66.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.774 179.418 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' X' X ' 30' ' ' PHE . . . . . 0.475 ' CD2' ' HB2' ' X' ' 52' ' ' PHE . 1.9 m-85 -58.95 -45.03 91.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.534 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 31' ' ' LYS . . . . . 0.536 ' NZ ' ' CG ' ' X' ' 27' ' ' GLU . 3.5 mmtp -58.31 -30.04 66.36 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.816 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 32' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' X' ' 36' ' ' ASP . 4.9 tt0 -68.1 -31.23 70.69 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.334 179.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 33' ' ' TYR . . . . . 0.625 ' CE2' HG21 ' X' ' 16' ' ' THR . 23.7 t80 -58.74 -46.09 88.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.038 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.45 -44.54 78.4 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 39.4 t-20 -65.92 -41.64 91.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.996 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 36' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' X' ' 32' ' ' GLN . 15.7 m-20 -65.13 -30.59 71.53 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 37' ' ' ASN . . . . . 0.914 ' O ' HG23 ' X' ' 39' ' ' VAL . 2.3 m-20 -113.56 53.1 0.78 Allowed 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.374 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 38' ' ' GLY . . . . . 0.58 ' C ' ' O ' ' X' ' 37' ' ' ASN . . . 3.07 59.32 0.0 OUTLIER Glycine 0 CA--C 1.524 0.63 0 CA-C-N 115.769 -0.651 . . . . 0.0 112.353 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 39' ' ' VAL . . . . . 0.914 HG23 ' O ' ' X' ' 37' ' ' ASN . 25.0 t -97.43 132.47 42.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.922 0.392 . . . . 0.0 110.827 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 40' ' ' ASP . . . . . 0.49 ' CG ' ' O ' ' X' ' 40' ' ' ASP . 9.8 p-10 -126.09 107.0 9.99 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.21 179.228 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . -157.38 -152.83 6.47 Favored Glycine 0 CA--C 1.517 0.209 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 42' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -102.76 142.46 33.87 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 43' ' ' TRP . . . . . 0.468 ' CE3' HG13 ' X' ' 54' ' ' VAL . 0.6 OUTLIER -112.88 142.63 45.32 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.755 -179.602 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -128.38 149.58 50.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.374 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 45' ' ' TYR . . . . . 0.738 ' CD1' ' CZ ' ' X' ' 52' ' ' PHE . 21.2 t80 -137.54 122.14 18.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.463 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -117.7 128.26 54.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.35 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -77.11 -31.98 56.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.98 0.419 . . . . 0.0 110.538 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.92 -32.29 59.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.418 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 49' ' ' THR . . . . . 0.539 ' O ' ' C ' ' X' ' 50' ' ' LYS . 0.3 OUTLIER -103.67 -2.09 27.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.33 179.848 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' X' X ' 50' ' ' LYS . . . . . 0.554 ' CG ' ' O ' ' X' ' 50' ' ' LYS . 0.0 OUTLIER 26.85 46.27 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.605 -179.655 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' X' X ' 51' ' ' THR . . . . . 0.529 HG23 ' H ' ' X' ' 4' ' ' LYS . 99.4 m -124.93 143.81 50.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.522 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 52' ' ' PHE . . . . . 0.738 ' CZ ' ' CD1' ' X' ' 45' ' ' TYR . 30.2 m-85 -115.85 132.68 56.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.354 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 53' ' ' THR . . . . . 0.409 HG22 ' N ' ' X' ' 54' ' ' VAL . 16.7 m -141.44 154.51 45.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.348 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 54' ' ' VAL . . . . . 0.468 HG13 ' CE3' ' X' ' 43' ' ' TRP . 0.1 OUTLIER -126.28 124.87 66.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 179.48 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' X' X ' 55' ' ' THR . . . . . . . . . . . . . 2.2 m -125.58 129.65 50.09 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.202 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.573 -179.903 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' X' X ' 1' ' ' MET . . . . . 0.68 ' O ' ' CZ ' ' X' ' 3' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 2' ' ' GLN . . . . . 0.425 ' NE2' ' C ' ' X' ' 2' ' ' GLN . 0.2 OUTLIER -92.47 118.29 30.81 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.127 -0.629 . . . . 0.0 111.435 -179.435 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' X' X ' 3' ' ' TYR . . . . . 0.68 ' CZ ' ' O ' ' X' ' 1' ' ' MET . 0.0 OUTLIER -128.7 142.55 50.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.65 179.608 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . 0.544 ' O ' ' O ' ' X' ' 52' ' ' PHE . 14.4 ttpt -118.99 139.74 51.17 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.973 179.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 5' ' ' LEU . . . . . 0.817 ' C ' HD13 ' X' ' 5' ' ' LEU . 3.1 tm? -117.54 112.78 21.04 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.188 0.518 . . . . 0.0 110.278 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 6' ' ' ILE . . . . . 0.428 HD11 ' CE ' ' X' ' 4' ' ' LYS . 10.1 mt -116.58 135.5 56.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.981 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 7' ' ' LEU . . . . . 0.725 HD23 HD11 ' X' ' 5' ' ' LEU . 0.8 OUTLIER -112.23 130.08 56.05 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.35 179.188 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' X' X ' 8' ' ' ASN . . . . . 0.679 ' ND2' ' H ' ' X' ' 9' ' ' GLY . 4.9 t30 -129.16 -164.08 1.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.48 -179.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 9' ' ' GLY . . . . . 0.679 ' H ' ' ND2' ' X' ' 8' ' ' ASN . . . 133.61 -166.86 23.76 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 10' ' ' LYS . . . . . 0.441 ' HD3' ' N ' ' X' ' 10' ' ' LYS . 4.3 mmtt -74.01 -62.46 1.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.788 0.328 . . . . 0.0 110.367 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 11' ' ' THR . . . . . 0.435 ' O ' ' OG1' ' X' ' 11' ' ' THR . 0.6 OUTLIER -117.75 21.37 12.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.318 179.722 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' X' X ' 12' ' ' LEU . . . . . 0.562 ' C ' ' CD1' ' X' ' 12' ' ' LEU . 0.2 OUTLIER -128.69 106.16 8.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.677 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' X' X ' 13' ' ' LYS . . . . . 0.528 ' N ' HD13 ' X' ' 12' ' ' LEU . 19.9 ttpt -131.92 139.22 48.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.041 0.448 . . . . 0.0 110.126 179.061 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 14' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' X' ' 7' ' ' LEU . . . -160.39 146.33 12.41 Favored Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -131.06 134.28 46.48 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 2.6 m -141.81 162.47 35.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.067 0.461 . . . . 0.0 111.3 -178.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 17' ' ' THR . . . . . 0.461 HG23 ' O ' ' X' ' 17' ' ' THR . 12.6 t -141.8 129.95 22.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.387 178.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -141.16 152.03 44.34 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.041 0.448 . . . . 0.0 110.662 -179.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -127.08 129.01 47.17 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.349 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.96 174.58 10.47 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.903 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 21' ' ' VAL . . . . . 0.406 HG13 ' N ' ' X' ' 22' ' ' ASP . 7.3 p -70.95 -33.62 52.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.737 178.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 22' ' ' ASP . . . . . 0.536 ' C ' ' OH ' ' X' ' 3' ' ' TYR . 2.4 p30 -154.64 170.46 21.47 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.118 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 23' ' ' ALA . . . . . 0.434 ' HA ' ' CE2' ' X' ' 3' ' ' TYR . . . -73.58 -32.08 63.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.169 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 24' ' ' ALA . . . . . 0.423 ' N ' ' OD1' ' X' ' 22' ' ' ASP . . . -56.07 -37.45 69.33 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 25' ' ' THR . . . . . 0.417 ' N ' ' OD1' ' X' ' 22' ' ' ASP . 0.7 OUTLIER -76.53 -46.2 27.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.12 179.239 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' X' X ' 26' ' ' ALA . . . . . 0.512 ' O ' ' CD2' ' X' ' 30' ' ' PHE . . . -59.6 -35.68 74.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.522 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 27' ' ' GLU . . . . . 0.635 ' O ' ' CG ' ' X' ' 31' ' ' LYS . 27.2 tt0 -53.67 -44.33 69.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.217 -179.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 10.6 mmtt -72.32 -38.86 68.56 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.373 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 59.3 t -71.46 -54.98 15.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -177.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 30' ' ' PHE . . . . . 0.541 ' CE2' ' HA ' ' X' ' 27' ' ' GLU . 2.5 p90 -74.71 -29.47 61.2 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 119.891 -0.724 . . . . 0.0 112.547 -178.041 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 31' ' ' LYS . . . . . 0.635 ' CG ' ' O ' ' X' ' 27' ' ' GLU . 45.3 mmtt -55.27 -30.46 60.16 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 119.766 -0.774 . . . . 0.0 108.931 179.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 32' ' ' GLN . . . . . 0.417 ' O ' ' N ' ' X' ' 36' ' ' ASP . 17.7 tt0 -61.29 -28.91 69.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.35 179.188 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -57.08 -46.19 82.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.67 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 34' ' ' ALA . . . . . 0.536 ' HB2' ' CH2' ' X' ' 43' ' ' TRP . . . -64.84 -47.97 76.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.01 0.434 . . . . 0.0 109.884 179.495 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -63.8 -38.1 89.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.965 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 36' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' X' ' 32' ' ' GLN . 17.7 t70 -62.55 -28.69 70.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.525 179.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 37' ' ' ASN . . . . . 1.014 ' O ' HG23 ' X' ' 39' ' ' VAL . 31.7 m120 -118.25 53.02 0.98 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.209 -0.905 . . . . 0.0 108.59 179.354 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 38' ' ' GLY . . . . . 0.581 ' C ' ' O ' ' X' ' 37' ' ' ASN . . . 0.98 60.97 0.0 OUTLIER Glycine 0 CA--C 1.523 0.594 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.242 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 39' ' ' VAL . . . . . 1.014 HG23 ' O ' ' X' ' 37' ' ' ASN . 47.4 t -98.15 138.15 23.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.943 0.401 . . . . 0.0 110.864 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -126.17 108.11 11.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.292 179.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . -155.44 -154.54 6.97 Favored Glycine 0 CA--C 1.518 0.242 0 N-CA-C 111.261 -0.735 . . . . 0.0 111.261 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 42' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -102.83 137.46 41.02 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 43' ' ' TRP . . . . . 0.665 ' CE2' HG22 ' X' ' 54' ' ' VAL . 0.5 OUTLIER -113.18 144.75 42.14 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.301 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.64 147.73 52.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.486 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 45' ' ' TYR . . . . . 0.731 ' CD1' ' CZ ' ' X' ' 52' ' ' PHE . 3.9 t80 -135.03 121.63 20.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.22 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -115.99 129.36 56.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.589 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 47' ' ' ASP . . . . . 0.574 ' OD1' ' N ' ' X' ' 48' ' ' ALA . 45.2 p-10 -76.74 -30.28 56.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.738 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 48' ' ' ALA . . . . . 0.574 ' N ' ' OD1' ' X' ' 47' ' ' ASP . . . -72.37 -31.79 65.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.779 -179.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 49' ' ' THR . . . . . 0.479 ' O ' ' C ' ' X' ' 50' ' ' LYS . 0.2 OUTLIER -110.51 -3.31 16.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.773 -179.901 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' X' X ' 50' ' ' LYS . . . . . 0.479 ' C ' ' O ' ' X' ' 49' ' ' THR . 1.8 ptpt 34.69 44.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.45 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 51' ' ' THR . . . . . . . . . . . . . 3.0 m -126.52 139.26 53.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.689 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 52' ' ' PHE . . . . . 0.731 ' CZ ' ' CD1' ' X' ' 45' ' ' TYR . 4.4 m-85 -120.2 132.07 55.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.388 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 53' ' ' THR . . . . . 0.504 ' CG2' ' N ' ' X' ' 54' ' ' VAL . 1.4 m -144.45 159.06 43.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.032 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 54' ' ' VAL . . . . . 0.665 HG22 ' CE2' ' X' ' 43' ' ' TRP . 0.9 OUTLIER -128.2 125.8 64.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.735 179.83 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' X' X ' 55' ' ' THR . . . . . . . . . . . . . 3.0 m -125.82 129.84 50.2 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.06 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.616 -179.908 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' X' X ' 1' ' ' MET . . . . . 0.706 ' O ' ' CE1' ' X' ' 3' ' ' TYR . 1.2 ptt? . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 2' ' ' GLN . . . . . 0.712 ' H ' ' CD ' ' X' ' 2' ' ' GLN . 0.0 OUTLIER -91.82 129.98 37.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.968 0.413 . . . . 0.0 110.818 -179.761 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' X' X ' 3' ' ' TYR . . . . . 0.706 ' CE1' ' O ' ' X' ' 1' ' ' MET . 0.0 OUTLIER -123.35 151.21 42.73 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.955 179.32 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . 0.485 ' O ' ' O ' ' X' ' 52' ' ' PHE . 15.0 mmtp -118.22 143.18 46.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.259 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 5' ' ' LEU . . . . . 0.759 ' C ' HD13 ' X' ' 5' ' ' LEU . 3.1 tm? -117.46 114.61 23.75 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.468 -179.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 6' ' ' ILE . . . . . 0.518 ' H ' HG22 ' X' ' 53' ' ' THR . 8.1 mm -116.55 132.41 66.29 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.232 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.041 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 7' ' ' LEU . . . . . 0.744 HD23 HD11 ' X' ' 5' ' ' LEU . 0.8 OUTLIER -114.01 129.68 56.59 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.419 179.38 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' X' X ' 8' ' ' ASN . . . . . 0.513 ' O ' ' O ' ' X' ' 12' ' ' LEU . 21.7 m120 -126.72 -164.91 1.39 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.422 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.24 -169.15 22.76 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 10' ' ' LYS . . . . . 0.456 ' HD3' ' N ' ' X' ' 10' ' ' LYS . 14.1 mmtt -71.53 -57.78 4.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.906 0.384 . . . . 0.0 110.295 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -124.5 5.41 8.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.422 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 12' ' ' LEU . . . . . 0.651 HD13 ' C ' ' X' ' 12' ' ' LEU . 0.8 OUTLIER -107.89 105.86 15.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.739 -179.913 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' X' X ' 13' ' ' LYS . . . . . 0.594 ' N ' HD13 ' X' ' 12' ' ' LEU . 11.0 ttmt -133.69 139.7 46.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.997 179.134 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 14' ' ' GLY . . . . . 0.546 ' O ' ' N ' ' X' ' 7' ' ' LEU . . . -160.94 143.16 8.67 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -132.52 135.96 46.32 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 16' ' ' THR . . . . . 0.567 ' CG2' ' N ' ' X' ' 17' ' ' THR . 1.0 OUTLIER -142.25 164.23 30.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.945 0.402 . . . . 0.0 111.003 -178.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' X' X ' 17' ' ' THR . . . . . 0.567 ' N ' ' CG2' ' X' ' 16' ' ' THR . 0.1 OUTLIER -137.89 130.46 29.53 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.654 179.428 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 1.8 m -145.49 150.25 36.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.949 0.404 . . . . 0.0 110.895 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -124.17 132.51 53.63 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.01 179.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 20' ' ' ALA . . . . . 0.402 ' HB3' ' CE1' ' X' ' 3' ' ' TYR . . . -139.64 176.56 8.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.14 0.495 . . . . 0.0 111.254 -179.4 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 21' ' ' VAL . . . . . 0.487 HG23 ' N ' ' X' ' 22' ' ' ASP . 29.3 m -71.44 -37.41 64.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.698 179.074 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 22' ' ' ASP . . . . . 0.543 ' C ' ' OH ' ' X' ' 3' ' ' TYR . 2.6 p30 -154.65 171.73 19.03 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.088 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.63 -29.9 63.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.443 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 24' ' ' ALA . . . . . 0.52 ' N ' ' OD1' ' X' ' 22' ' ' ASP . . . -55.85 -38.37 69.98 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 25' ' ' THR . . . . . 0.46 ' N ' ' OD1' ' X' ' 22' ' ' ASP . 1.6 p -77.58 -43.74 30.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.977 178.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 26' ' ' ALA . . . . . 0.473 ' O ' ' CD2' ' X' ' 30' ' ' PHE . . . -57.43 -34.64 69.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.491 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 27' ' ' GLU . . . . . 0.549 ' HA ' ' CE2' ' X' ' 30' ' ' PHE . 0.5 OUTLIER -52.45 -40.5 62.34 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.164 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' X' X ' 28' ' ' LYS . . . . . 0.498 ' N ' ' HG3' ' X' ' 27' ' ' GLU . 0.4 OUTLIER -72.25 -39.83 68.13 Favored 'General case' 0 C--N 1.317 -0.832 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.885 179.854 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 98.5 t -73.03 -56.16 10.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 113.507 0.929 . . . . 0.0 113.507 -178.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 30' ' ' PHE . . . . . 0.686 ' CD1' ' N ' ' X' ' 31' ' ' LYS . 3.7 p90 -75.09 -41.98 57.62 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 120.149 -0.62 . . . . 0.0 112.535 -177.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 31' ' ' LYS . . . . . 0.686 ' N ' ' CD1' ' X' ' 30' ' ' PHE . 1.8 tppp? -55.87 -29.14 59.45 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 119.733 -0.787 . . . . 0.0 109.168 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 32' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' X' ' 36' ' ' ASP . 18.9 tt0 -60.88 -30.02 69.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.243 178.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -57.94 -46.1 85.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.524 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.02 -47.16 75.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.019 0.438 . . . . 0.0 110.047 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 35' ' ' ASN . . . . . 0.55 ' N ' HD22 ' X' ' 35' ' ' ASN . 1.7 m120 -67.72 -39.9 84.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.48 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 36' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' X' ' 32' ' ' GLN . 44.8 t0 -66.79 -29.65 69.65 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.043 179.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 37' ' ' ASN . . . . . 0.716 ' O ' HG23 ' X' ' 39' ' ' VAL . 7.4 t-20 -110.63 54.07 0.68 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.286 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 38' ' ' GLY . . . . . 0.575 ' C ' ' O ' ' X' ' 37' ' ' ASN . . . 4.18 58.94 0.0 OUTLIER Glycine 0 CA--C 1.524 0.636 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.506 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 39' ' ' VAL . . . . . 0.716 HG23 ' O ' ' X' ' 37' ' ' ASN . 5.0 t -94.45 130.95 42.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.496 179.528 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -123.73 107.56 11.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.009 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . -160.47 -144.95 4.13 Favored Glycine 0 CA--C 1.517 0.193 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 42' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -101.54 139.54 37.06 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 178.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 43' ' ' TRP . . . . . 0.732 ' CE2' HG22 ' X' ' 54' ' ' VAL . 0.1 OUTLIER -109.85 139.54 44.81 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.949 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.87 166.77 20.16 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.711 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 45' ' ' TYR . . . . . 0.797 ' CD1' ' CE2' ' X' ' 52' ' ' PHE . 3.5 t80 -157.89 135.59 10.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.451 179.459 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 46' ' ' ASP . . . . . 0.588 ' N ' ' CD1' ' X' ' 45' ' ' TYR . 5.4 m-20 -121.55 118.88 30.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.544 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -77.07 -30.38 55.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.548 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.46 -33.34 42.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.735 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 49' ' ' THR . . . . . 0.483 ' C ' ' CG ' ' X' ' 50' ' ' LYS . 3.6 p -101.89 -0.26 34.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 50' ' ' LYS . . . . . 0.483 ' CG ' ' C ' ' X' ' 49' ' ' THR . 3.2 pttm 36.74 35.9 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.752 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 51' ' ' THR . . . . . . . . . . . . . 11.5 m -114.71 137.35 52.02 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.172 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 52' ' ' PHE . . . . . 0.797 ' CE2' ' CD1' ' X' ' 45' ' ' TYR . 81.3 m-85 -118.81 131.31 56.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.599 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 53' ' ' THR . . . . . 0.518 HG22 ' H ' ' X' ' 6' ' ' ILE . 39.9 p -146.91 159.78 43.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.673 -179.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 54' ' ' VAL . . . . . 0.732 HG22 ' CE2' ' X' ' 43' ' ' TRP . 1.7 t -127.06 128.32 70.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 179.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 55' ' ' THR . . . . . . . . . . . . . 2.8 m -125.24 129.26 49.7 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.385 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.451 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 1' ' ' MET . . . . . 0.748 ' SD ' ' N ' ' X' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 2' ' ' GLN . . . . . 0.666 ' OE1' ' N ' ' X' ' 1' ' ' MET . 0.0 OUTLIER -91.95 120.6 32.76 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.694 -179.705 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' X' X ' 3' ' ' TYR . . . . . 0.703 ' CZ ' ' O ' ' X' ' 1' ' ' MET . 0.0 OUTLIER -122.94 139.32 54.18 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.734 179.759 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . 0.416 ' H ' HG23 ' X' ' 51' ' ' THR . 25.1 tttt -118.14 140.01 50.41 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.039 179.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 5' ' ' LEU . . . . . 0.697 ' C ' HD13 ' X' ' 5' ' ' LEU . 2.8 tm? -114.75 111.7 21.67 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.085 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 6' ' ' ILE . . . . . 0.551 ' H ' HG22 ' X' ' 53' ' ' THR . 2.0 mm -115.6 130.5 70.12 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.292 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.819 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 7' ' ' LEU . . . . . 0.632 ' CD2' HG21 ' X' ' 39' ' ' VAL . 1.1 mp -113.78 130.56 56.43 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.485 179.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 8' ' ' ASN . . . . . 0.5 ' O ' ' O ' ' X' ' 12' ' ' LEU . 0.4 OUTLIER -124.82 -163.98 1.23 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.024 179.783 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . 134.38 -173.53 21.37 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.676 -0.969 . . . . 0.0 110.676 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 10' ' ' LYS . . . . . 0.464 ' HG2' ' H ' ' X' ' 11' ' ' THR . 0.0 OUTLIER -69.24 -56.13 8.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.842 0.354 . . . . 0.0 110.68 -179.843 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' X' X ' 11' ' ' THR . . . . . 0.464 ' H ' ' HG2' ' X' ' 10' ' ' LYS . 1.5 t -123.65 8.74 8.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.523 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 12' ' ' LEU . . . . . 0.524 HD13 ' C ' ' X' ' 12' ' ' LEU . 0.4 OUTLIER -115.53 106.03 13.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.076 -179.72 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' X' X ' 13' ' ' LYS . . . . . 0.512 ' N ' HD13 ' X' ' 12' ' ' LEU . 16.3 ttpp -130.76 139.34 50.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.627 178.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -159.58 147.37 14.54 Favored Glycine 0 CA--C 1.521 0.451 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -138.33 135.92 35.87 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 16' ' ' THR . . . . . 0.589 ' CG2' ' N ' ' X' ' 17' ' ' THR . 1.9 m -140.21 163.2 33.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.134 0.492 . . . . 0.0 111.248 -178.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 17' ' ' THR . . . . . 0.589 ' N ' ' CG2' ' X' ' 16' ' ' THR . 2.1 p -139.18 130.64 27.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.896 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 1.8 m -146.33 151.8 38.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.026 0.441 . . . . 0.0 111.069 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 19' ' ' GLU . . . . . 0.67 ' OE1' ' N ' ' X' ' 20' ' ' ALA . 0.4 OUTLIER -125.32 133.86 52.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.01 179.453 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' X' X ' 20' ' ' ALA . . . . . 0.67 ' N ' ' OE1' ' X' ' 19' ' ' GLU . . . -143.77 176.64 9.09 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.182 0.515 . . . . 0.0 111.219 -179.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 21' ' ' VAL . . . . . 0.47 HG13 ' N ' ' X' ' 22' ' ' ASP . 7.2 p -72.33 -36.98 57.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.1 179.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 22' ' ' ASP . . . . . 0.534 ' C ' ' OH ' ' X' ' 3' ' ' TYR . 2.4 p30 -152.88 170.82 19.41 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.291 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 23' ' ' ALA . . . . . 0.472 ' HA ' ' CE2' ' X' ' 3' ' ' TYR . . . -73.01 -30.01 63.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.723 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 24' ' ' ALA . . . . . 0.511 ' N ' ' OD1' ' X' ' 22' ' ' ASP . . . -55.63 -36.61 67.19 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 25' ' ' THR . . . . . 0.456 ' N ' ' OD1' ' X' ' 22' ' ' ASP . 0.1 OUTLIER -76.97 -44.62 30.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.114 178.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' X' X ' 26' ' ' ALA . . . . . 0.601 ' O ' ' CD2' ' X' ' 30' ' ' PHE . . . -61.09 -36.08 78.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.465 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 27' ' ' GLU . . . . . 0.555 ' OE1' ' O ' ' X' ' 27' ' ' GLU . 0.0 OUTLIER -53.96 -41.3 67.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.452 -179.626 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' X' X ' 28' ' ' LYS . . . . . 0.464 ' N ' ' HG3' ' X' ' 27' ' ' GLU . 0.0 OUTLIER -74.14 -40.88 62.32 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.351 -179.7 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 79.5 t -71.99 -55.26 14.02 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 N-CA-C 113.48 0.919 . . . . 0.0 113.48 -178.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 30' ' ' PHE . . . . . 0.601 ' CD2' ' O ' ' X' ' 26' ' ' ALA . 3.5 p90 -74.48 -31.71 62.3 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 120.046 -0.661 . . . . 0.0 112.631 -177.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 31' ' ' LYS . . . . . 0.543 ' NZ ' ' CE3' ' X' ' 43' ' ' TRP . 10.9 tppt? -55.97 -29.94 61.0 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 119.85 -0.74 . . . . 0.0 109.108 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -61.88 -29.51 70.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.744 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 33' ' ' TYR . . . . . 0.402 ' CE1' HD22 ' X' ' 7' ' ' LEU . 5.3 t80 -57.58 -46.56 83.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 -179.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.26 -47.14 77.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.946 0.403 . . . . 0.0 110.212 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 45.9 t-20 -64.21 -41.25 97.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.458 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -66.72 -30.45 70.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.129 0.49 . . . . 0.0 109.949 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 37' ' ' ASN . . . . . 0.971 ' O ' HG23 ' X' ' 39' ' ' VAL . 1.5 m-80 -110.98 53.31 0.71 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 179.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 38' ' ' GLY . . . . . 0.586 ' C ' ' O ' ' X' ' 37' ' ' ASN . . . 3.9 59.27 0.0 OUTLIER Glycine 0 CA--C 1.524 0.599 0 CA-C-N 115.868 -0.605 . . . . 0.0 112.141 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 39' ' ' VAL . . . . . 0.971 HG23 ' O ' ' X' ' 37' ' ' ASN . 56.0 t -95.38 129.69 45.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.967 0.413 . . . . 0.0 110.717 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -125.26 107.36 10.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.124 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . -157.52 -151.74 6.12 Favored Glycine 0 CA--C 1.519 0.298 0 N-CA-C 111.089 -0.805 . . . . 0.0 111.089 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 42' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -102.37 138.08 39.78 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 179.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 43' ' ' TRP . . . . . 0.686 ' CE2' HG22 ' X' ' 54' ' ' VAL . 0.7 OUTLIER -113.0 141.44 46.84 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.577 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.36 155.53 45.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.956 179.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 45' ' ' TYR . . . . . 0.706 ' CD1' ' CE2' ' X' ' 52' ' ' PHE . 1.5 t80 -141.29 127.41 19.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.962 0.411 . . . . 0.0 110.911 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 46' ' ' ASP . . . . . 0.572 ' N ' ' CD1' ' X' ' 45' ' ' TYR . 1.4 m-20 -116.91 122.51 44.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.237 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 47' ' ' ASP . . . . . 0.605 ' OD1' ' N ' ' X' ' 48' ' ' ALA . 6.1 p30 -76.45 -28.67 56.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.829 -179.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 48' ' ' ALA . . . . . 0.605 ' N ' ' OD1' ' X' ' 47' ' ' ASP . . . -74.73 -32.32 62.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.786 -179.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 49' ' ' THR . . . . . . . . . . . . . 3.0 p -110.19 -3.93 16.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.699 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 50' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' X' ' 46' ' ' ASP . 0.0 OUTLIER 40.84 41.43 1.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.271 -179.784 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' X' X ' 51' ' ' THR . . . . . 0.416 HG23 ' H ' ' X' ' 4' ' ' LYS . 99.5 m -118.1 134.61 54.83 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.847 0.356 . . . . 0.0 111.074 -179.423 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 52' ' ' PHE . . . . . 0.706 ' CE2' ' CD1' ' X' ' 45' ' ' TYR . 38.7 m-85 -118.62 132.04 56.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.144 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 53' ' ' THR . . . . . 0.551 HG22 ' H ' ' X' ' 6' ' ' ILE . 57.2 p -143.41 155.79 44.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.541 -179.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 54' ' ' VAL . . . . . 0.686 HG22 ' CE2' ' X' ' 43' ' ' TRP . 0.6 OUTLIER -129.54 126.62 63.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.862 0.363 . . . . 0.0 110.438 179.653 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' X' X ' 55' ' ' THR . . . . . 0.494 HG23 ' CB ' ' X' ' 8' ' ' ASN . 2.9 m -125.36 131.32 53.0 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.069 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.621 -179.805 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' X' X ' 1' ' ' MET . . . . . 0.708 ' O ' ' CZ ' ' X' ' 3' ' ' TYR . 4.7 ptm . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 2' ' ' GLN . . . . . 0.635 ' NE2' ' O ' ' X' ' 2' ' ' GLN . 1.4 pm0 -92.7 131.77 37.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.801 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 3' ' ' TYR . . . . . 0.731 ' CD1' ' N ' ' X' ' 3' ' ' TYR . 0.0 OUTLIER -125.24 150.94 46.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.141 179.757 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . 0.437 ' O ' HG23 ' X' ' 51' ' ' THR . 20.5 ttpt -118.91 139.47 51.59 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.77 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 5' ' ' LEU . . . . . 0.803 ' C ' HD13 ' X' ' 5' ' ' LEU . 2.6 tm? -114.43 117.6 31.46 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.371 179.279 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 6' ' ' ILE . . . . . 0.503 ' O ' HG23 ' X' ' 53' ' ' THR . 2.0 mm -115.69 134.17 59.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 -179.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 7' ' ' LEU . . . . . 0.787 HD21 HD11 ' X' ' 5' ' ' LEU . 26.2 mt -113.02 122.15 46.75 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.446 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 8' ' ' ASN . . . . . 0.714 ' HB2' HG23 ' X' ' 55' ' ' THR . 5.4 m-20 -124.84 -164.51 1.28 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.773 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.88 178.03 15.33 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 10' ' ' LYS . . . . . 0.4 ' HG2' ' H ' ' X' ' 10' ' ' LYS . 7.2 pttp -67.86 -48.78 65.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.717 -0.242 . . . . 0.0 111.193 -179.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 11' ' ' THR . . . . . . . . . . . . . 64.0 p -123.61 12.89 9.32 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.1 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 12' ' ' LEU . . . . . 0.634 HD13 ' C ' ' X' ' 12' ' ' LEU . 0.6 OUTLIER -132.13 107.41 8.61 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.112 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' X' X ' 13' ' ' LYS . . . . . 0.627 ' N ' HD13 ' X' ' 12' ' ' LEU . 6.5 ttpm? -135.45 140.23 44.71 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.261 178.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -160.54 168.05 35.91 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -137.09 136.19 38.13 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 179.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 16' ' ' THR . . . . . 0.42 HG21 ' CE2' ' X' ' 33' ' ' TYR . 1.4 m -140.52 161.71 37.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.15 0.5 . . . . 0.0 111.673 -178.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 26.2 p -141.58 130.56 23.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.398 179.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -146.96 148.51 31.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.206 0.527 . . . . 0.0 111.733 -179.057 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.98 135.56 50.09 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.724 179.252 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 20' ' ' ALA . . . . . 0.594 ' HB3' ' CE1' ' X' ' 3' ' ' TYR . . . -144.75 176.46 9.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.286 0.565 . . . . 0.0 111.632 -179.572 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 21' ' ' VAL . . . . . . . . . . . . . 98.2 t -72.4 -38.8 61.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.932 179.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 22' ' ' ASP . . . . . 0.702 ' OD1' ' HB3' ' X' ' 24' ' ' ALA . 2.5 p30 -153.44 167.73 28.45 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.064 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 23' ' ' ALA . . . . . 0.578 ' O ' ' N ' ' X' ' 27' ' ' GLU . . . -70.35 -30.13 66.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.478 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 24' ' ' ALA . . . . . 0.702 ' HB3' ' OD1' ' X' ' 22' ' ' ASP . . . -56.64 -36.14 69.16 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 179.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 25' ' ' THR . . . . . 0.498 ' OG1' ' O ' ' X' ' 22' ' ' ASP . 3.3 p -76.84 -47.31 21.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.964 178.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 26' ' ' ALA . . . . . 0.419 ' O ' ' CD1' ' X' ' 30' ' ' PHE . . . -68.12 -38.1 81.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.442 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 27' ' ' GLU . . . . . 0.578 ' N ' ' O ' ' X' ' 23' ' ' ALA . 12.3 tt0 -54.99 -42.82 72.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 -179.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.56 -42.82 70.62 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.253 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 25.2 t -70.02 -39.47 77.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.695 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 30' ' ' PHE . . . . . 0.469 ' CE2' ' HB2' ' X' ' 5' ' ' LEU . 3.3 m-85 -62.51 -45.48 92.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.176 -179.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 31' ' ' LYS . . . . . 0.472 ' CG ' ' O ' ' X' ' 27' ' ' GLU . 13.9 mmtt -58.79 -30.75 67.82 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 32' ' ' GLN . . . . . 0.574 ' OE1' ' N ' ' X' ' 33' ' ' TYR . 0.4 OUTLIER -68.65 -32.1 71.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.987 179.329 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' X' X ' 33' ' ' TYR . . . . . 0.574 ' N ' ' OE1' ' X' ' 32' ' ' GLN . 2.1 t80 -59.3 -46.26 89.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.038 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 34' ' ' ALA . . . . . 0.463 ' HB2' ' CH2' ' X' ' 43' ' ' TRP . . . -67.71 -47.21 70.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.018 179.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -62.54 -43.22 99.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.724 179.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -65.72 -29.74 70.31 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 37' ' ' ASN . . . . . 0.925 ' O ' HG23 ' X' ' 39' ' ' VAL . 7.5 m-80 -113.5 52.98 0.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 179.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 38' ' ' GLY . . . . . 0.592 ' C ' ' O ' ' X' ' 37' ' ' ASN . . . 3.91 61.4 0.0 OUTLIER Glycine 0 CA--C 1.525 0.677 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.066 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 39' ' ' VAL . . . . . 0.925 HG23 ' O ' ' X' ' 37' ' ' ASN . 55.6 t -95.52 110.37 24.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.834 -0.347 . . . . 0.0 110.924 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -111.91 106.27 14.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.102 179.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . -158.62 -151.03 5.95 Favored Glycine 0 CA--C 1.519 0.289 0 N-CA-C 110.861 -0.895 . . . . 0.0 110.861 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 42' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -102.62 136.16 42.95 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 43' ' ' TRP . . . . . 0.587 ' CE2' HG22 ' X' ' 54' ' ' VAL . 0.6 OUTLIER -111.94 141.62 45.36 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.543 -179.907 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 6.6 t -126.53 151.19 48.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.367 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 45' ' ' TYR . . . . . 0.527 ' CE2' ' CE1' ' X' ' 52' ' ' PHE . 18.9 t80 -128.89 122.85 31.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.44 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 46' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' X' ' 50' ' ' LYS . 5.8 m-20 -120.17 118.6 30.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.454 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -76.32 -30.4 57.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.484 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.03 -32.4 61.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.6 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 49' ' ' THR . . . . . 0.465 ' O ' ' C ' ' X' ' 50' ' ' LYS . 0.2 OUTLIER -107.86 -3.34 19.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.408 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' X' X ' 50' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' X' ' 49' ' ' THR . 1.7 ptpp? 34.82 38.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.561 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 51' ' ' THR . . . . . 0.437 HG23 ' O ' ' X' ' 4' ' ' LYS . 7.0 m -120.91 137.6 54.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.607 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 52' ' ' PHE . . . . . 0.576 ' HB3' ' HE1' ' X' ' 43' ' ' TRP . 3.2 m-85 -119.63 133.18 55.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.541 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 53' ' ' THR . . . . . 0.503 HG23 ' O ' ' X' ' 6' ' ' ILE . 3.4 m -140.33 151.27 44.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.002 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 54' ' ' VAL . . . . . 0.587 HG22 ' CE2' ' X' ' 43' ' ' TRP . 0.0 OUTLIER -130.1 126.83 62.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.949 0.404 . . . . 0.0 110.811 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' X' X ' 55' ' ' THR . . . . . 0.714 HG23 ' HB2' ' X' ' 8' ' ' ASN . 11.2 m -126.1 133.31 51.69 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.15 179.643 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 56' ' ' GLU . . . . . 0.413 ' HG3' ' H ' ' X' ' 56' ' ' GLU . 3.9 mt-10 . . . . . 0 C--N 1.325 -0.499 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.505 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 1' ' ' MET . . . . . 0.719 ' SD ' ' N ' ' X' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 2' ' ' GLN . . . . . 0.811 ' NE2' ' H ' ' X' ' 2' ' ' GLN . 0.0 OUTLIER -91.78 136.5 33.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.462 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' X' X ' 3' ' ' TYR . . . . . 0.698 ' CZ ' ' O ' ' X' ' 1' ' ' MET . 0.0 OUTLIER -125.65 153.4 43.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.033 179.694 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . 0.473 ' O ' ' O ' ' X' ' 52' ' ' PHE . 9.2 ttpp -118.56 142.35 47.7 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.601 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 5' ' ' LEU . . . . . 0.465 HD22 ' CD1' ' X' ' 7' ' ' LEU . 0.2 OUTLIER -111.7 119.18 37.76 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.841 179.666 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' X' X ' 6' ' ' ILE . . . . . 0.534 ' C ' HD12 ' X' ' 7' ' ' LEU . 2.5 mm -115.46 129.68 71.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.652 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 7' ' ' LEU . . . . . 0.534 HD12 ' C ' ' X' ' 6' ' ' ILE . 6.6 mp -113.3 130.69 56.19 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.253 179.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 8' ' ' ASN . . . . . 0.518 ' C ' ' O ' ' X' ' 12' ' ' LEU . 0.7 OUTLIER -131.68 -162.44 1.23 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.571 -179.449 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . 135.34 -174.16 21.36 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.587 -1.005 . . . . 0.0 110.587 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 10' ' ' LYS . . . . . 0.707 ' CE ' ' H ' ' X' ' 10' ' ' LYS . 0.0 OUTLIER -76.05 -46.95 26.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.699 0.285 . . . . 0.0 110.824 -179.63 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' X' X ' 11' ' ' THR . . . . . . . . . . . . . 33.8 p -125.06 18.78 8.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.647 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 12' ' ' LEU . . . . . 0.518 ' O ' ' C ' ' X' ' 8' ' ' ASN . 11.3 tp -135.21 116.91 14.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.431 -179.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.4 139.11 33.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.459 178.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -163.79 154.41 25.29 Favored Glycine 0 CA--C 1.521 0.409 0 N-CA-C 110.462 -1.055 . . . . 0.0 110.462 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -129.95 137.52 50.37 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.09 160.45 39.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.116 0.484 . . . . 0.0 111.53 -179.007 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -142.26 130.99 22.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.474 179.173 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 1.2 m -142.21 152.09 42.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.0 0.428 . . . . 0.0 111.11 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -122.57 136.77 54.97 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.353 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 20' ' ' ALA . . . . . 0.543 ' HB3' ' CE1' ' X' ' 3' ' ' TYR . . . -146.68 177.15 9.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.734 -179.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 21' ' ' VAL . . . . . 0.504 HG13 ' N ' ' X' ' 22' ' ' ASP . 7.4 p -70.86 -38.88 74.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.638 178.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 22' ' ' ASP . . . . . 0.557 ' OD1' ' N ' ' X' ' 24' ' ' ALA . 2.4 p30 -155.7 169.62 23.92 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.006 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 23' ' ' ALA . . . . . 0.677 ' O ' ' N ' ' X' ' 27' ' ' GLU . . . -71.76 -29.58 64.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.461 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 24' ' ' ALA . . . . . 0.557 ' N ' ' OD1' ' X' ' 22' ' ' ASP . . . -56.62 -38.98 72.84 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 179.59 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 25' ' ' THR . . . . . 0.453 ' N ' ' OD1' ' X' ' 22' ' ' ASP . 20.3 p -77.73 -47.63 18.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.192 179.047 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 26' ' ' ALA . . . . . 0.708 ' HB1' ' CE2' ' X' ' 30' ' ' PHE . . . -68.42 -38.22 81.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.807 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 27' ' ' GLU . . . . . 0.677 ' N ' ' O ' ' X' ' 23' ' ' ALA . 69.5 tt0 -54.45 -42.73 70.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.819 -179.309 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.6 -37.89 80.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.879 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 25.5 t -69.85 -39.56 77.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.784 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 30' ' ' PHE . . . . . 0.708 ' CE2' ' HB1' ' X' ' 26' ' ' ALA . 32.3 m-85 -65.08 -44.13 89.9 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.05 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 8.1 mmtp -57.34 -30.59 64.94 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -67.92 -30.99 70.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.604 178.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -59.67 -46.49 88.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.188 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.01 -45.08 86.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.942 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.54 -41.27 80.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.273 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -64.03 -30.26 71.35 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 37' ' ' ASN . . . . . 0.984 ' O ' HG23 ' X' ' 39' ' ' VAL . 25.7 m120 -114.29 53.03 0.81 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.274 -0.876 . . . . 0.0 108.692 179.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 38' ' ' GLY . . . . . 0.572 ' C ' ' O ' ' X' ' 37' ' ' ASN . . . 2.95 60.28 0.0 OUTLIER Glycine 0 CA--C 1.524 0.625 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.18 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 39' ' ' VAL . . . . . 0.984 HG23 ' O ' ' X' ' 37' ' ' ASN . 51.9 t -95.51 123.45 47.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.022 0.439 . . . . 0.0 110.788 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -118.27 107.67 14.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.006 179.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . -160.24 -145.6 4.33 Favored Glycine 0 CA--C 1.517 0.192 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 42' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' X' ' 55' ' ' THR . 0.3 OUTLIER -101.09 137.54 39.31 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.811 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' X' X ' 43' ' ' TRP . . . . . 0.452 ' CE2' ' HB ' ' X' ' 54' ' ' VAL . 2.1 m95 -111.34 141.17 45.23 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.43 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -135.07 165.79 24.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.355 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 45' ' ' TYR . . . . . 0.56 ' CD1' ' CZ ' ' X' ' 52' ' ' PHE . 4.6 t80 -156.19 133.62 10.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.544 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 46' ' ' ASP . . . . . 0.506 ' N ' ' CD1' ' X' ' 45' ' ' TYR . 3.8 m-20 -121.05 121.28 37.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.577 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 47' ' ' ASP . . . . . 0.508 ' N ' ' OD1' ' X' ' 47' ' ' ASP . 10.6 p30 -77.34 -31.37 54.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.447 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.16 -32.89 44.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.668 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 49' ' ' THR . . . . . 0.47 ' O ' ' C ' ' X' ' 50' ' ' LYS . 0.2 OUTLIER -101.93 -0.96 33.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.795 -179.912 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' X' X ' 50' ' ' LYS . . . . . 0.47 ' C ' ' O ' ' X' ' 49' ' ' THR . 5.4 pttm 34.84 43.29 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.526 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 51' ' ' THR . . . . . . . . . . . . . 98.1 m -120.46 137.13 54.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.497 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 52' ' ' PHE . . . . . 0.56 ' CZ ' ' CD1' ' X' ' 45' ' ' TYR . 17.3 m-85 -115.81 131.21 57.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.228 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 53' ' ' THR . . . . . 0.437 ' CG2' ' N ' ' X' ' 54' ' ' VAL . 3.0 m -144.54 154.87 43.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.829 -179.548 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 54' ' ' VAL . . . . . 0.452 ' HB ' ' CE2' ' X' ' 43' ' ' TRP . 1.6 p -133.09 124.13 49.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.1 179.24 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 55' ' ' THR . . . . . 0.444 ' O ' ' N ' ' X' ' 42' ' ' GLU . 0.3 OUTLIER -125.98 136.71 53.31 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 179.72 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' X' X ' 56' ' ' GLU . . . . . 0.409 ' HG3' ' H ' ' X' ' 56' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--N 1.32 -0.679 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.507 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 1' ' ' MET . . . . . 0.697 ' O ' ' CZ ' ' X' ' 3' ' ' TYR . 2.9 ppp? . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 2' ' ' GLN . . . . . 0.667 ' H ' ' CD ' ' X' ' 2' ' ' GLN . 0.0 OUTLIER -92.56 132.37 36.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.101 -179.572 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' X' X ' 3' ' ' TYR . . . . . 0.697 ' CZ ' ' O ' ' X' ' 1' ' ' MET . 0.0 OUTLIER -125.82 151.03 47.33 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.525 179.608 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -119.72 143.56 47.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.57 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 5' ' ' LEU . . . . . 0.475 HD12 ' HD1' ' X' ' 30' ' ' PHE . 0.1 OUTLIER -119.3 123.31 43.91 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.157 179.803 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' X' X ' 6' ' ' ILE . . . . . 0.719 ' C ' HD22 ' X' ' 7' ' ' LEU . 1.7 mm -116.15 133.93 61.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.185 179.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 7' ' ' LEU . . . . . 0.762 HD12 HG21 ' X' ' 39' ' ' VAL . 4.4 mm? -112.65 128.33 56.36 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.033 0.444 . . . . 0.0 110.527 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 8' ' ' ASN . . . . . 0.423 ' HB3' HG23 ' X' ' 55' ' ' THR . 0.9 OUTLIER -133.67 -162.55 1.26 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.315 -179.489 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . 135.28 -158.23 23.53 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 10' ' ' LYS . . . . . 0.454 ' NZ ' ' O ' ' X' ' 56' ' ' GLU . 19.8 mmtt -70.54 -65.86 0.68 Allowed 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 121.583 0.706 . . . . 0.0 110.18 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 11' ' ' THR . . . . . 0.819 ' O ' HG22 ' X' ' 11' ' ' THR . 5.0 m -128.17 22.99 6.08 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 114.467 -1.242 . . . . 0.0 110.198 -178.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 12' ' ' LEU . . . . . 0.65 HD13 ' C ' ' X' ' 12' ' ' LEU . 1.0 OUTLIER -122.82 106.72 11.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.437 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' X' X ' 13' ' ' LYS . . . . . 0.574 ' N ' HD13 ' X' ' 12' ' ' LEU . 0.2 OUTLIER -131.57 139.56 49.24 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.976 0.417 . . . . 0.0 110.51 179.32 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' X' X ' 14' ' ' GLY . . . . . 0.497 ' O ' ' N ' ' X' ' 7' ' ' LEU . . . -158.93 149.92 20.23 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 110.614 -0.995 . . . . 0.0 110.614 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -130.1 136.4 49.28 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 16' ' ' THR . . . . . 0.609 ' HG1' ' HH ' ' X' ' 33' ' ' TYR . 1.8 m -140.32 159.12 42.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.041 0.448 . . . . 0.0 111.229 -179.067 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 17' ' ' THR . . . . . 0.533 ' N ' ' CG2' ' X' ' 16' ' ' THR . 9.8 t -142.31 130.7 22.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.77 179.197 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 1.9 m -145.4 152.56 40.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.938 0.399 . . . . 0.0 111.012 -179.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -124.36 135.2 53.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.325 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 20' ' ' ALA . . . . . 0.491 ' HB3' ' HH ' ' X' ' 3' ' ' TYR . . . -140.35 178.09 7.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.024 -179.522 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 21' ' ' VAL . . . . . . . . . . . . . 45.7 t -70.07 -38.8 76.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.406 178.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 22' ' ' ASP . . . . . 0.564 ' C ' ' OH ' ' X' ' 3' ' ' TYR . 53.1 p30 -155.6 172.33 18.46 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.998 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 23' ' ' ALA . . . . . 0.66 ' O ' ' N ' ' X' ' 27' ' ' GLU . . . -73.17 -30.54 63.64 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.742 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.29 -39.6 72.95 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 25' ' ' THR . . . . . 0.401 ' H ' ' HG1' ' X' ' 25' ' ' THR . 36.3 p -78.6 -47.02 17.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.276 178.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 26' ' ' ALA . . . . . 0.593 ' HB1' ' CE2' ' X' ' 30' ' ' PHE . . . -67.81 -37.6 82.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.726 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 27' ' ' GLU . . . . . 0.66 ' N ' ' O ' ' X' ' 23' ' ' ALA . 68.5 tt0 -54.01 -42.28 68.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.854 -179.319 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 28' ' ' LYS . . . . . 0.41 ' HD2' ' N ' ' X' ' 28' ' ' LYS . 0.0 OUTLIER -65.18 -38.2 89.75 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.177 179.823 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 61.6 t -69.88 -39.33 77.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.812 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 30' ' ' PHE . . . . . 0.593 ' CE2' ' HB1' ' X' ' 26' ' ' ALA . 38.8 m-85 -66.19 -42.93 88.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.114 -179.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 31' ' ' LYS . . . . . 0.454 ' CG ' ' O ' ' X' ' 27' ' ' GLU . 0.1 OUTLIER -56.81 -32.09 65.36 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -67.49 -30.22 69.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.884 178.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 33' ' ' TYR . . . . . 0.609 ' HH ' ' HG1' ' X' ' 16' ' ' THR . 3.6 t80 -58.28 -46.59 85.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.313 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 34' ' ' ALA . . . . . 0.449 ' HB2' ' HZ2' ' X' ' 43' ' ' TRP . . . -63.5 -45.45 90.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.119 179.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -68.01 -40.99 82.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.362 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -66.25 -31.03 71.6 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.145 0.497 . . . . 0.0 109.973 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 37' ' ' ASN . . . . . 0.944 ' O ' HG23 ' X' ' 39' ' ' VAL . 25.6 m120 -111.32 53.35 0.71 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.535 -0.757 . . . . 0.0 108.972 179.426 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 38' ' ' GLY . . . . . 0.593 ' C ' ' O ' ' X' ' 37' ' ' ASN . . . 3.55 58.8 0.0 OUTLIER Glycine 0 CA--C 1.524 0.626 0 O-C-N 123.694 0.622 . . . . 0.0 112.237 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 39' ' ' VAL . . . . . 0.944 HG23 ' O ' ' X' ' 37' ' ' ASN . 39.9 t -96.71 131.96 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.863 0.363 . . . . 0.0 110.829 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -125.72 106.65 9.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.077 179.233 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . -160.41 -146.97 4.77 Favored Glycine 0 CA--C 1.516 0.138 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 42' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -101.92 140.57 36.02 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 178.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 43' ' ' TRP . . . . . 0.449 ' HZ2' ' HB2' ' X' ' 34' ' ' ALA . 9.0 m95 -112.33 142.33 44.97 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.089 0.471 . . . . 0.0 110.686 -179.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.83 170.01 16.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.203 179.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 45' ' ' TYR . . . . . 0.702 ' CE2' ' CZ ' ' X' ' 52' ' ' PHE . 21.6 t80 -151.75 131.34 13.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.639 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -122.73 114.24 20.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.521 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 47' ' ' ASP . . . . . 0.608 ' O ' ' CE ' ' X' ' 50' ' ' LYS . 0.7 OUTLIER -77.18 -29.57 54.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.737 -179.793 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.56 -33.27 47.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.109 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 49' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.76 -3.29 17.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.936 -179.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 50' ' ' LYS . . . . . 0.608 ' CE ' ' O ' ' X' ' 47' ' ' ASP . 27.5 mmtp 43.5 33.5 0.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.22 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 51' ' ' THR . . . . . 0.464 ' C ' ' CD1' ' X' ' 52' ' ' PHE . 82.7 m -113.97 117.7 32.08 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.848 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 52' ' ' PHE . . . . . 0.702 ' CZ ' ' CE2' ' X' ' 45' ' ' TYR . 0.6 OUTLIER -117.64 132.22 56.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.168 179.606 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' X' X ' 53' ' ' THR . . . . . . . . . . . . . 41.2 p -144.71 158.34 43.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.554 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 54' ' ' VAL . . . . . . . . . . . . . 2.4 p -127.39 126.44 67.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 179.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 55' ' ' THR . . . . . 0.423 HG23 ' HB3' ' X' ' 8' ' ' ASN . 4.5 m -125.23 131.19 53.18 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 56' ' ' GLU . . . . . 0.454 ' O ' ' NZ ' ' X' ' 10' ' ' LYS . 2.2 mt-10 . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.642 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 1' ' ' MET . . . . . 0.687 ' O ' ' CZ ' ' X' ' 3' ' ' TYR . 5.3 ptm . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 2' ' ' GLN . . . . . 0.417 ' H ' ' HG3' ' X' ' 2' ' ' GLN . 0.9 OUTLIER -92.32 135.53 33.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.682 -179.834 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' X' X ' 3' ' ' TYR . . . . . 0.687 ' CZ ' ' O ' ' X' ' 1' ' ' MET . 0.0 OUTLIER -123.48 149.12 45.52 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.33 179.753 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 8.1 tttp -118.86 143.27 47.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.339 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 5' ' ' LEU . . . . . 0.657 ' C ' HD12 ' X' ' 6' ' ' ILE . 0.2 OUTLIER -117.22 120.78 39.3 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.249 -179.907 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' X' X ' 6' ' ' ILE . . . . . 0.657 HD12 ' C ' ' X' ' 5' ' ' LEU . 1.8 mp -115.69 132.77 64.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.16 179.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 7' ' ' LEU . . . . . 0.58 HD22 ' C ' ' X' ' 6' ' ' ILE . 4.5 mm? -112.94 131.58 55.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.606 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 8' ' ' ASN . . . . . 0.472 ' CB ' HG23 ' X' ' 55' ' ' THR . 0.9 OUTLIER -131.42 -168.48 2.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.17 179.893 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . 128.72 -161.74 22.34 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 10' ' ' LYS . . . . . 0.427 ' H ' ' CD ' ' X' ' 10' ' ' LYS . 0.0 OUTLIER -66.76 -77.93 0.06 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.948 0.404 . . . . 0.0 110.12 179.684 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' X' X ' 11' ' ' THR . . . . . 0.44 ' O ' ' OG1' ' X' ' 11' ' ' THR . 0.7 OUTLIER -113.02 21.31 15.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.386 179.692 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' X' X ' 12' ' ' LEU . . . . . 0.636 HD13 ' C ' ' X' ' 12' ' ' LEU . 0.5 OUTLIER -116.52 100.32 7.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.032 -179.91 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' X' X ' 13' ' ' LYS . . . . . 0.498 ' N ' HD13 ' X' ' 12' ' ' LEU . 8.0 ttmt -132.96 139.24 47.2 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.039 178.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -159.53 165.51 34.5 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -137.27 137.64 39.24 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.09 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.92 160.28 39.09 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.436 -0.506 . . . . 0.0 111.811 -178.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 76.2 p -142.81 129.54 20.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.084 179.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.79 150.56 35.55 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.236 -0.585 . . . . 0.0 111.781 -179.002 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -128.1 127.16 42.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.041 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 20' ' ' ALA . . . . . 0.513 ' HB3' ' HH ' ' X' ' 3' ' ' TYR . . . -141.99 178.64 7.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.11 0.481 . . . . 0.0 111.173 -179.383 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 21' ' ' VAL . . . . . . . . . . . . . 58.5 t -69.53 -39.26 78.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.359 178.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 22' ' ' ASP . . . . . 0.548 ' C ' ' OH ' ' X' ' 3' ' ' TYR . 13.4 p30 -155.62 171.73 19.46 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.959 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 23' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' X' ' 27' ' ' GLU . . . -72.61 -30.68 64.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.601 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.65 -36.69 69.81 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 25' ' ' THR . . . . . 0.53 ' O ' ' CG1' ' X' ' 29' ' ' VAL . 37.8 p -76.44 -44.86 33.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.459 178.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.3 -38.96 82.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.022 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 27' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' X' ' 23' ' ' ALA . 35.6 tt0 -54.6 -48.54 72.04 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -178.482 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -60.42 -47.5 85.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.941 0.4 . . . . 0.0 110.727 -179.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 29' ' ' VAL . . . . . 0.53 ' CG1' ' O ' ' X' ' 25' ' ' THR . 0.5 OUTLIER -70.26 -35.68 64.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.596 179.54 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' X' X ' 30' ' ' PHE . . . . . 0.5 ' CD2' ' HG ' ' X' ' 5' ' ' LEU . 0.9 OUTLIER -58.62 -45.09 89.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.61 -179.78 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -57.5 -29.15 64.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.761 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 32' ' ' GLN . . . . . 0.515 ' O ' ' N ' ' X' ' 36' ' ' ASP . 4.0 tt0 -66.93 -31.08 71.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.087 179.081 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -58.83 -46.41 87.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.055 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.19 -45.99 62.24 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.09 -43.87 98.22 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.498 179.011 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 36' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' X' ' 32' ' ' GLN . 11.1 t70 -66.35 -29.44 69.63 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 37' ' ' ASN . . . . . 0.769 ' O ' HG23 ' X' ' 39' ' ' VAL . 0.1 OUTLIER -112.21 52.21 0.78 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 179.005 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' X' X ' 38' ' ' GLY . . . . . 0.567 ' C ' ' O ' ' X' ' 37' ' ' ASN . . . 2.92 58.45 0.0 OUTLIER Glycine 0 CA--C 1.527 0.826 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.555 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 39' ' ' VAL . . . . . 0.769 HG23 ' O ' ' X' ' 37' ' ' ASN . 6.5 t -95.77 124.46 48.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -120.39 107.21 12.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.018 179.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . -158.35 -150.47 5.78 Favored Glycine 0 CA--C 1.517 0.208 0 N-CA-C 111.442 -0.663 . . . . 0.0 111.442 -179.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 42' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -102.59 141.24 35.73 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 43' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -115.52 148.65 39.26 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.843 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 2.0 t -139.29 160.3 40.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.256 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 45' ' ' TYR . . . . . 0.739 ' CD1' ' CZ ' ' X' ' 52' ' ' PHE . 6.2 t80 -147.06 132.57 18.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.999 0.428 . . . . 0.0 110.857 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 46' ' ' ASP . . . . . 0.468 ' N ' ' CD1' ' X' ' 45' ' ' TYR . 37.3 m-20 -122.87 119.81 31.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.287 179.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.9 -27.75 60.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.613 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.12 -31.02 62.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.421 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 49' ' ' THR . . . . . 0.455 ' OG1' ' CB ' ' X' ' 46' ' ' ASP . 13.2 p -109.31 -2.8 17.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.778 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 50' ' ' LYS . . . . . 0.564 ' CD ' ' H2 ' ' X' ' 1' ' ' MET . 0.6 OUTLIER 37.65 48.34 0.92 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.016 -179.838 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' X' X ' 51' ' ' THR . . . . . . . . . . . . . 4.8 m -129.06 146.49 51.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.661 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 52' ' ' PHE . . . . . 0.739 ' CZ ' ' CD1' ' X' ' 45' ' ' TYR . 21.0 m-85 -122.56 131.42 53.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.673 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 53' ' ' THR . . . . . . . . . . . . . 4.5 m -141.43 151.49 43.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.291 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 54' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -129.9 129.2 65.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.897 0.38 . . . . 0.0 110.278 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 55' ' ' THR . . . . . 0.472 HG23 ' CB ' ' X' ' 8' ' ' ASN . 6.1 m -125.08 131.66 53.28 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.199 179.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.955 -1.021 . . . . 0.0 110.608 -179.845 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' X' X ' 1' ' ' MET . . . . . 0.696 ' O ' ' CZ ' ' X' ' 3' ' ' TYR . 2.4 ptp . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 2' ' ' GLN . . . . . 0.812 ' NE2' ' H ' ' X' ' 2' ' ' GLN . 0.0 OUTLIER -92.04 127.59 37.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.995 0.426 . . . . 0.0 110.774 -179.754 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' X' X ' 3' ' ' TYR . . . . . 0.707 ' CD1' ' N ' ' X' ' 3' ' ' TYR . 0.0 OUTLIER -125.55 151.84 45.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.264 179.844 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 10.5 ptpp? -118.35 141.53 48.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.136 0.493 . . . . 0.0 110.498 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 5' ' ' LEU . . . . . 0.75 ' C ' HD13 ' X' ' 5' ' ' LEU . 2.2 tm? -118.11 108.97 15.84 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.074 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 6' ' ' ILE . . . . . 0.49 ' N ' HD22 ' X' ' 5' ' ' LEU . 0.0 OUTLIER -116.17 133.62 62.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.085 179.901 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' X' X ' 7' ' ' LEU . . . . . 0.445 HD13 HG21 ' X' ' 39' ' ' VAL . 17.3 mt -110.14 130.73 55.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.842 0.353 . . . . 0.0 110.081 179.518 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -125.12 -163.97 1.24 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.376 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . 134.3 -160.24 24.09 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 10' ' ' LYS . . . . . 0.411 ' HD2' ' H ' ' X' ' 10' ' ' LYS . 1.6 mptt -61.77 -81.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.977 0.417 . . . . 0.0 110.666 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 11' ' ' THR . . . . . 0.405 ' H ' ' HB2' ' X' ' 10' ' ' LYS . 3.6 t -110.55 18.5 19.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.078 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 tp -112.38 112.38 23.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.776 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -134.87 139.7 45.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.597 179.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -162.0 145.8 11.24 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 15' ' ' GLU . . . . . 0.638 ' OE1' ' N ' ' X' ' 15' ' ' GLU . 0.0 OUTLIER -132.78 134.98 45.4 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 178.896 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -141.3 159.64 41.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.22 0.533 . . . . 0.0 111.675 -178.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.09 132.36 20.57 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.319 179.016 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.41 152.39 40.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.819 -179.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -118.84 126.86 52.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.133 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 20' ' ' ALA . . . . . . . . . . . . . . . -137.07 177.48 7.83 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.193 0.52 . . . . 0.0 111.224 -179.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 21' ' ' VAL . . . . . . . . . . . . . 6.5 t -72.41 -37.24 57.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.571 179.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 22' ' ' ASP . . . . . 0.548 ' OD1' ' N ' ' X' ' 24' ' ' ALA . 2.3 p30 -154.71 171.28 19.8 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.077 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 23' ' ' ALA . . . . . 0.407 ' HA ' ' CE2' ' X' ' 3' ' ' TYR . . . -72.44 -30.52 64.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.653 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 24' ' ' ALA . . . . . 0.548 ' N ' ' OD1' ' X' ' 22' ' ' ASP . . . -56.74 -36.49 69.82 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 25' ' ' THR . . . . . 0.516 ' N ' ' OD1' ' X' ' 22' ' ' ASP . 41.2 p -76.59 -46.31 26.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.316 179.196 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.44 -37.79 83.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.879 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 27' ' ' GLU . . . . . 0.511 ' O ' ' CG ' ' X' ' 31' ' ' LYS . 16.0 tt0 -54.92 -42.71 72.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.281 -179.078 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -66.31 -45.49 80.17 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.525 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 25.2 t -69.73 -39.87 78.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.319 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 30' ' ' PHE . . . . . 0.437 ' CD2' ' HB2' ' X' ' 5' ' ' LEU . 3.9 m-30 -62.05 -44.45 96.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.769 -179.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 31' ' ' LYS . . . . . 0.511 ' CG ' ' O ' ' X' ' 27' ' ' GLU . 18.6 mmtt -58.18 -29.65 65.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.721 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 32' ' ' GLN . . . . . 0.587 ' O ' ' N ' ' X' ' 36' ' ' ASP . 41.3 tp60 -62.52 -32.14 73.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.85 179.14 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -60.04 -47.24 86.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.04 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.19 -47.13 71.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.713 179.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -65.78 -42.88 90.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.806 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 36' ' ' ASP . . . . . 0.587 ' N ' ' O ' ' X' ' 32' ' ' GLN . 12.0 t70 -63.02 -27.96 69.77 Favored 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 179.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 37' ' ' ASN . . . . . 0.953 ' O ' HG23 ' X' ' 39' ' ' VAL . 24.4 m120 -119.47 52.82 1.07 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.127 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 38' ' ' GLY . . . . . 0.597 ' C ' ' O ' ' X' ' 37' ' ' ASN . . . 1.52 62.69 0.0 OUTLIER Glycine 0 CA--C 1.523 0.589 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.97 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 39' ' ' VAL . . . . . 0.953 HG23 ' O ' ' X' ' 37' ' ' ASN . 55.1 t -94.67 127.88 46.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.831 0.348 . . . . 0.0 110.687 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -121.79 107.6 12.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.125 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . -157.07 -152.0 6.18 Favored Glycine 0 CA--C 1.519 0.285 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 42' ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -102.38 136.51 42.09 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 179.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 43' ' ' TRP . . . . . 0.528 ' CE3' HG13 ' X' ' 54' ' ' VAL . 0.7 OUTLIER -112.62 142.04 45.68 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.626 -179.882 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.68 151.26 51.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.353 179.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 45' ' ' TYR . . . . . 0.658 ' CD1' ' CE1' ' X' ' 52' ' ' PHE . 5.6 t80 -142.84 123.95 14.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.287 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.58 133.14 56.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.272 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -77.49 -32.89 54.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.981 0.419 . . . . 0.0 110.618 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.71 -32.31 60.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.28 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 49' ' ' THR . . . . . 0.545 ' O ' ' C ' ' X' ' 50' ' ' LYS . 0.2 OUTLIER -104.37 -2.08 25.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.427 179.895 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' X' X ' 50' ' ' LYS . . . . . 0.562 ' CG ' ' O ' ' X' ' 50' ' ' LYS . 0.2 OUTLIER 26.12 49.8 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.621 -179.734 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' X' X ' 51' ' ' THR . . . . . 0.422 ' N ' ' O ' ' X' ' 49' ' ' THR . 2.6 m -125.45 143.56 50.93 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.58 -179.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 52' ' ' PHE . . . . . 0.658 ' CE1' ' CD1' ' X' ' 45' ' ' TYR . 19.0 m-85 -117.39 132.66 56.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.403 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 53' ' ' THR . . . . . 0.444 ' CG2' ' N ' ' X' ' 54' ' ' VAL . 1.3 m -142.28 154.28 44.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.479 -179.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 54' ' ' VAL . . . . . 0.528 HG13 ' CE3' ' X' ' 43' ' ' TRP . 0.1 OUTLIER -129.45 124.58 60.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.133 179.505 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' X' X ' 55' ' ' THR . . . . . . . . . . . . . 2.3 m -125.78 128.47 47.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.247 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.524 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 1' ' ' MET . . . . . 0.693 ' O ' ' CZ ' ' X' ' 3' ' ' TYR . 13.0 ptm . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 2' ' ' GLN . . . . . 0.849 ' NE2' ' H ' ' X' ' 2' ' ' GLN . 0.0 OUTLIER -91.73 124.41 35.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.124 0.488 . . . . 0.0 110.867 -179.614 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' X' X ' 3' ' ' TYR . . . . . 0.693 ' CZ ' ' O ' ' X' ' 1' ' ' MET . 0.0 OUTLIER -117.8 147.03 43.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.923 179.576 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -118.65 143.11 47.04 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.351 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 5' ' ' LEU . . . . . 0.564 ' C ' HD12 ' X' ' 6' ' ' ILE . 13.4 tp -113.85 130.23 56.5 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.417 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 6' ' ' ILE . . . . . 0.614 ' C ' HD22 ' X' ' 7' ' ' LEU . 1.7 mp -116.7 134.46 60.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.42 179.365 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 7' ' ' LEU . . . . . 0.942 ' N ' HD22 ' X' ' 7' ' ' LEU . 1.4 mm? -111.08 128.9 56.02 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.335 179.366 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 8' ' ' ASN . . . . . 0.502 ' C ' ' O ' ' X' ' 12' ' ' LEU . 16.3 m-20 -133.77 -163.27 1.34 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.354 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.94 -168.96 23.09 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.841 -0.903 . . . . 0.0 110.841 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.23 -57.08 4.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.769 0.319 . . . . 0.0 110.803 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -122.51 22.64 9.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.593 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 12' ' ' LEU . . . . . 0.502 ' O ' ' C ' ' X' ' 8' ' ' ASN . 6.6 tp -133.18 112.21 11.54 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.749 -0.381 . . . . 0.0 111.52 -179.306 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 17.2 ttpt -140.51 138.85 34.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.411 178.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -163.27 169.74 38.47 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.306 -1.118 . . . . 0.0 110.306 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -139.64 136.96 34.85 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 179.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 16' ' ' THR . . . . . 0.516 ' CG2' ' N ' ' X' ' 17' ' ' THR . 1.6 m -138.94 158.14 44.75 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.803 -179.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 17' ' ' THR . . . . . 0.516 ' N ' ' CG2' ' X' ' 16' ' ' THR . 3.0 t -139.96 135.74 33.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.648 179.238 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -143.93 150.94 39.14 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.222 0.534 . . . . 0.0 111.12 -179.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -125.17 129.74 50.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.846 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 20' ' ' ALA . . . . . 0.442 ' HB3' ' CE1' ' X' ' 3' ' ' TYR . . . -138.71 177.88 7.56 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.312 0.577 . . . . 0.0 111.346 -179.216 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 21' ' ' VAL . . . . . 0.45 HG22 ' H ' ' X' ' 21' ' ' VAL . 0.1 OUTLIER -70.62 -38.6 73.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.511 178.891 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' X' X ' 22' ' ' ASP . . . . . 0.562 ' C ' ' OH ' ' X' ' 3' ' ' TYR . 4.4 p30 -155.87 172.74 17.84 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.072 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.82 -30.91 64.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.505 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.32 -36.15 68.38 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 25' ' ' THR . . . . . 0.614 ' O ' HG23 ' X' ' 29' ' ' VAL . 12.0 p -77.82 -42.89 32.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.091 178.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 26' ' ' ALA . . . . . 0.664 ' O ' ' CD2' ' X' ' 30' ' ' PHE . . . -64.31 -39.18 93.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.062 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 27' ' ' GLU . . . . . 0.653 ' O ' ' CG ' ' X' ' 31' ' ' LYS . 5.3 pt-20 -55.06 -45.2 75.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.763 0.316 . . . . 0.0 110.575 -179.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 28' ' ' LYS . . . . . 0.567 ' N ' ' CG ' ' X' ' 27' ' ' GLU . 0.2 OUTLIER -73.39 -38.85 65.49 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.954 179.826 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' X' X ' 29' ' ' VAL . . . . . 0.614 HG23 ' O ' ' X' ' 25' ' ' THR . 93.9 t -71.17 -54.86 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -178.317 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 30' ' ' PHE . . . . . 0.664 ' CD2' ' O ' ' X' ' 26' ' ' ALA . 3.9 p90 -74.8 -29.98 61.27 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 119.843 -0.743 . . . . 0.0 112.485 -178.05 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 31' ' ' LYS . . . . . 0.653 ' CG ' ' O ' ' X' ' 27' ' ' GLU . 18.4 mmtp -55.61 -29.33 58.95 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 119.723 -0.791 . . . . 0.0 109.129 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -64.73 -30.82 71.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.771 179.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 33' ' ' TYR . . . . . 0.573 ' C ' ' CD1' ' X' ' 33' ' ' TYR . 4.3 t80 -57.89 -44.66 86.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.339 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.33 -45.92 68.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 109.927 179.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 35' ' ' ASN . . . . . 0.428 ' N ' ' OD1' ' X' ' 35' ' ' ASN . 1.3 m-20 -62.41 -42.44 99.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.95 179.459 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -65.8 -30.15 70.74 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 37' ' ' ASN . . . . . 0.943 ' O ' HG23 ' X' ' 39' ' ' VAL . 1.2 t-20 -112.41 52.92 0.75 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 179.093 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 38' ' ' GLY . . . . . 0.587 ' C ' ' O ' ' X' ' 37' ' ' ASN . . . 3.74 60.77 0.0 OUTLIER Glycine 0 CA--C 1.524 0.615 0 CA-C-N 115.65 -0.704 . . . . 0.0 112.049 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 39' ' ' VAL . . . . . 0.943 HG23 ' O ' ' X' ' 37' ' ' ASN . 52.3 t -94.89 109.64 22.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.708 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -109.87 108.45 18.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.045 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . -156.35 -151.11 5.84 Favored Glycine 0 CA--C 1.519 0.308 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 42' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -101.68 133.04 47.01 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 43' ' ' TRP . . . . . 0.568 ' HE1' ' HB3' ' X' ' 52' ' ' PHE . 0.6 OUTLIER -114.09 144.05 43.77 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.847 -179.751 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 3.2 p -133.99 153.76 51.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.179 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 45' ' ' TYR . . . . . 0.775 ' CD1' ' CE2' ' X' ' 52' ' ' PHE . 2.9 t80 -144.16 125.02 14.25 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.556 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 46' ' ' ASP . . . . . 0.418 ' N ' ' CD1' ' X' ' 45' ' ' TYR . 6.2 t0 -117.61 132.81 56.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.218 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.71 -32.59 53.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.913 0.387 . . . . 0.0 110.567 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.53 -32.58 58.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.418 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 49' ' ' THR . . . . . 0.538 ' O ' ' C ' ' X' ' 50' ' ' LYS . 0.3 OUTLIER -102.89 -1.9 28.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.331 179.73 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' X' X ' 50' ' ' LYS . . . . . 0.538 ' C ' ' O ' ' X' ' 49' ' ' THR . 5.1 ptmt 26.65 46.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.65 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 51' ' ' THR . . . . . 0.466 ' N ' ' O ' ' X' ' 49' ' ' THR . 2.5 m -125.76 137.72 53.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.46 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 52' ' ' PHE . . . . . 0.775 ' CE2' ' CD1' ' X' ' 45' ' ' TYR . 34.2 m-85 -119.44 132.43 55.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.712 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 53' ' ' THR . . . . . 0.44 ' CG2' ' N ' ' X' ' 54' ' ' VAL . 1.4 m -142.4 154.51 44.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.452 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 54' ' ' VAL . . . . . 0.44 ' N ' ' CG2' ' X' ' 53' ' ' THR . 5.2 p -130.3 127.15 62.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.896 0.379 . . . . 0.0 110.665 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 55' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -125.73 134.67 51.7 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.675 179.363 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 56' ' ' GLU . . . . . 0.412 ' H ' ' HG3' ' X' ' 56' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.669 0 CA-C-O 118.003 -0.999 . . . . 0.0 110.607 179.758 . . . . . . . . 2 2 . 1 stop_ save_